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Assay Detail

CHEMBL3885759

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Protein construct Factor Xa purchased from R&D Systems- Source : Sf9 derived, Met1-Lys488, C-terminal 10-His tag Reconstituted purchased 25 ug to 100 ug/mL in 25 mM MES, 150 mM NaCl, 5 mM CalCl2, pH 6.0 http://rndsystems.com/products/ACFP1063Compounds The 55 compounds were obtained from the K4DD collaboration partners: Sheraz Gul European Screening Port GmbHBuffers Coupling buffer : 10 mM sodium acetate, pH 5.0 Immobilisation : HBS- N, pH 7.5 10 mM HEPES, 150 mM NaCl Assay running buffer : HBS-NP + 2 mM CaCl2 + 2% DMSO 20 mM HEPES, 150 mM NaCl, 2 mM CaCl2, 0.05% Tween 20, 2% DMSO Sample buffer : Identical to assay running buffer Regeneration solution : identical to assay running bufferKinetic titration experiments of 10 ug/ mL FXa immobilised onto a CM5 chip using standard amine coupling chemistry for use with SPR at 25C.Compounds assayed against the surface in a 1:3 dilution series in 2% DMSO
ChEMBL ↗
110
Total Activities
38
Compounds Tested
3
Activity Types
20
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type Sf9
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Coagulation factor X (CHEMBL244) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

K4DD drug target binding kinetics data
Doris A.Schuetz, Wilhelmus Egbertus Arnout de Witte, Yin Cheong Wong, Bernhard Knasmueller, Lars Richter, Daria B. Kokh, S. Kashif Sadiq, Reggie Bosma, Indira Nederpelt, Laura H. Heitman, Elena Segala, Marta Amaral, Dong Guo, Dorothee Andres, Victoria Georgi, Leigh A. Stoddart, Steve Hill, Robert M. Cooke, Chris De Graaf, Rob Leurs, Matthias Frech, Rebecca C. Wade, Elizabeth Cunera Mariade Lange, Adriaan P. IJzerman, Anke Müller-Fahrnow, Gerhard F. Ecker

· DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 38 7.38 8.30
kon 36 - -
koff 36 - -

Assay Parameters

Parameter Type Value Units Text
assay_method assay_method - — SPR
data_collection_rate data_collection_rate 10.0 Hz —
fitting_model fitting_model - — 01:01
immobilization_buffer_composition immobilization_buffer_composition - — 10 mM HEPES, 150 mM NaCl pH 7.5
immobilization_chip_used immobilization_chip_used - — CM5
immobilization_contact_time immobilization_contact_time 480.0 s —
immobilization_flow_rate immobilization_flow_rate 10.0 uL/min —
immobilization_method immobilization_method - — Amine coupling
immobilization_ph immobilization_ph 5.0 — —
immobilization_temperature immobilization_temperature 25.0 degree C —
instrument instrument - — Biacore T200
protein_modification protein_modification - — Active Form. Recombinant Human Coagulation Factor Xa Animal Component Free is prone to proteolytic cleavage at Cterminus. The. predominant form of the purified protein lacks the His tag.
protein_molecular_weight protein_molecular_weight 30.0 kDa —
protein_mutation_type protein_mutation_type - — native protein
reference1_fraction_active reference1_fraction_active 40.0 % —
reference1_molecular_weight reference1_molecular_weight 568.97 g/mol —
reference1_name reference1_name - — GW799685A
reference1_ru_max reference1_ru_max 20.0 RU —
regeneration_comment regeneration_comment - — Sample dissociation time was elongated to 600s for compounds that showed signs of residual binding after 300s.
regeneration_contact_time regeneration_contact_time 30.0 s —

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3910588 — — 3 8.30
CHEMBL3979386 — — 3 8.27
CHEMBL197377 — — 3 8.25
CHEMBL196539 — — 3 8.14
CHEMBL3981807 — — 3 8.01
CHEMBL381866 — — 3 7.87
CHEMBL198654 — — 3 7.86
CHEMBL564248 — — 3 7.86
CHEMBL557915 — — 3 7.85
CHEMBL3961687 — — 3 7.84
CHEMBL196589 — — 3 7.82
CHEMBL196492 — — 3 7.82
CHEMBL3977531 — — 3 7.79
CHEMBL46618 OTAMIXABAN 3.0 3 7.77
CHEMBL3956658 — — 3 7.61
CHEMBL3305961 — — 3 7.57
CHEMBL370614 — — 3 7.52
CHEMBL3912108 — — 3 7.48
CHEMBL3979879 — — 3 7.46
CHEMBL3907419 — — 3 7.37
CHEMBL3904655 — — 3 7.35
CHEMBL197624 — — 3 7.35
CHEMBL3304291 — — 3 7.32
CHEMBL3959350 — — 3 7.26
CHEMBL1235423 — — 3 7.08
CHEMBL316053 — — 3 6.97
CHEMBL3942651 — — 3 6.94
CHEMBL3928201 — — 3 6.93
CHEMBL93087 — — 3 6.92
CHEMBL3957468 — — 3 6.82

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3910588 — Kd = 5.003 nM 8.30
CHEMBL3979386 — Kd = 5.397 nM 8.27
CHEMBL197377 — Kd = 5.645 nM 8.25
CHEMBL196539 — Kd = 7.16 nM 8.14
CHEMBL3981807 — Kd = 9.787 nM 8.01
CHEMBL381866 — Kd = 13.4 nM 7.87
CHEMBL564248 — Kd = 13.67 nM 7.86
CHEMBL198654 — Kd = 13.9 nM 7.86
CHEMBL557915 — Kd = 14.03 nM 7.85
CHEMBL3961687 — Kd = 14.5 nM 7.84
CHEMBL196492 — Kd = 15.0 nM 7.82
CHEMBL196589 — Kd = 15.3 nM 7.82
CHEMBL3977531 — Kd = 16.3 nM 7.79
CHEMBL46618 OTAMIXABAN Kd = 16.84 nM 7.77
CHEMBL3956658 — Kd = 24.35 nM 7.61
CHEMBL3305961 — Kd = 27.03 nM 7.57
CHEMBL370614 — Kd = 29.95 nM 7.52
CHEMBL3912108 — Kd = 33.43 nM 7.48
CHEMBL3979879 — Kd = 34.33 nM 7.46
CHEMBL3907419 — Kd = 42.4 nM 7.37
CHEMBL197624 — Kd = 44.75 nM 7.35
CHEMBL3904655 — Kd = 44.5 nM 7.35
CHEMBL3304291 — Kd = 48.45 nM 7.32
CHEMBL3959350 — Kd = 55.17 nM 7.26
CHEMBL1235423 — Kd = 83.1 nM 7.08
CHEMBL316053 — Kd = 106.77 nM 6.97
CHEMBL3942651 — Kd = 115.5 nM 6.94
CHEMBL3928201 — Kd = 116.53 nM 6.93
CHEMBL93087 — Kd = 120.33 nM 6.92
CHEMBL3957468 — Kd = 152.0 nM 6.82
CHEMBL194889 — Kd = 177.95 nM 6.75
CHEMBL194810 — Kd = 179.0 nM 6.75
CHEMBL436293 — Kd = 182.5 nM 6.74
CHEMBL370176 — Kd = 191.5 nM 6.72
CHEMBL48813 — Kd = 265.0 nM 6.58
CHEMBL3966335 — Kd = 284.0 nM 6.55
CHEMBL120413 — Kd = 299.0 nM 6.52
CHEMBL372956 — Kd = 309.0 nM 6.51
CHEMBL196492 — koff = 0.04707 1-s -
CHEMBL3942651 — koff = 0.01545 1-s -
CHEMBL197377 — kon = 9340000.0 Ms-1 -
CHEMBL370614 — koff = 0.02678 1-s -
CHEMBL3977531 — kon = 7535333.33 Ms-1 -
CHEMBL3957468 — koff = 0.02511 1-s -
CHEMBL3910588 — koff = 0.06125 1-s -
CHEMBL198654 — koff = 0.06666 1-s -
CHEMBL3956658 — koff = 0.0491 1-s -
CHEMBL196492 — kon = 5838500.0 Ms-1 -
CHEMBL196539 — koff = 0.0212 1-s -
CHEMBL48813 — koff = 0.06482 1-s -