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Assay Detail

CHEMBL862701

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Binding
Inhibitory constant against human cathepsin S using Z-Val-Val-Arg-AMC substrate
ChEMBL ↗
60
Total Activities
60
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Expert

Target

Cathepsin S (CHEMBL2954) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Design and synthesis of tri-ring P3 benzamide-containing aminonitriles as potent, selective, orally effective inhibitors of cathepsin K.
Palmer JT, Bryant C, Wang DX, Davis DE, Setti EL, Rydzewski RM, Venkatraman S, Tian ZQ, Burrill LC, Mendonca RV, Springman E, McCarter J, Chung T, Cheung H, Janc JW, McGrath M, Somoza JR, Enriquez P, Yu ZW, Strickley RM, Liu L, Venuti MC, Percival MD, Falgueyret JP, Prasit P, Oballa R, Riendeau D, Young RN, Wesolowski G, Rodan SB, Johnson C, Kimmel DB, Rodan G.
J Med Chem (2005) 48 : 7520 -7534
PubMed 16302794 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 60 5.11 6.84

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL200161 — — 1 6.84
CHEMBL200529 — — 1 6.82
CHEMBL200954 — — 1 6.75
CHEMBL381026 — — 1 6.60
CHEMBL372977 — — 1 6.40
CHEMBL200531 — — 1 6.07
CHEMBL200167 — — 1 5.85
CHEMBL200289 — — 1 5.72
CHEMBL199014 — — 1 5.60
CHEMBL200596 — — 1 5.50
CHEMBL200775 — — 1 5.46
CHEMBL199163 — — 1 5.41
CHEMBL371771 — — 1 5.40
CHEMBL200545 — — 1 5.38
CHEMBL200507 — — 1 5.35
CHEMBL371133 — — 1 5.31
CHEMBL197440 — — 1 5.26
CHEMBL383186 — — 1 5.24
CHEMBL200482 — — 1 5.21
CHEMBL199214 — — 1 5.21
CHEMBL200494 — — 1 5.19
CHEMBL200203 — — 1 5.19
CHEMBL200788 — — 1 5.10
CHEMBL200672 — — 1 5.10
CHEMBL200619 — — 1 5.06
CHEMBL381190 — — 1 5.06
CHEMBL370165 — — 1 5.04
CHEMBL370786 — — 1 5.00
CHEMBL198802 — — 1 5.00
CHEMBL200426 — — 1 4.92

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL200161 — Ki = 143.0 nM 6.84
CHEMBL200529 — Ki = 150.0 nM 6.82
CHEMBL200954 — Ki = 180.0 nM 6.75
CHEMBL381026 — Ki = 250.0 nM 6.60
CHEMBL372977 — Ki = 400.0 nM 6.40
CHEMBL200531 — Ki = 860.0 nM 6.07
CHEMBL200167 — Ki = 1400.0 nM 5.85
CHEMBL200289 — Ki = 1900.0 nM 5.72
CHEMBL199014 — Ki = 2500.0 nM 5.60
CHEMBL200596 — Ki = 3200.0 nM 5.50
CHEMBL200775 — Ki = 3500.0 nM 5.46
CHEMBL199163 — Ki = 3900.0 nM 5.41
CHEMBL371771 — Ki = 4000.0 nM 5.40
CHEMBL200545 — Ki = 4200.0 nM 5.38
CHEMBL200507 — Ki = 4500.0 nM 5.35
CHEMBL371133 — Ki = 4900.0 nM 5.31
CHEMBL197440 — Ki = 5500.0 nM 5.26
CHEMBL383186 — Ki = 5700.0 nM 5.24
CHEMBL200482 — Ki = 6200.0 nM 5.21
CHEMBL199214 — Ki = 6200.0 nM 5.21
CHEMBL200494 — Ki = 6400.0 nM 5.19
CHEMBL200203 — Ki = 6500.0 nM 5.19
CHEMBL200788 — Ki = 7900.0 nM 5.10
CHEMBL200672 — Ki = 7900.0 nM 5.10
CHEMBL381190 — Ki = 8700.0 nM 5.06
CHEMBL200619 — Ki = 8800.0 nM 5.06
CHEMBL370165 — Ki = 9100.0 nM 5.04
CHEMBL370786 — Ki = 10000.0 nM 5.00
CHEMBL198802 — Ki = 10000.0 nM 5.00
CHEMBL200426 — Ki = 12000.0 nM 4.92
CHEMBL435913 — Ki = 13000.0 nM 4.89
CHEMBL199358 — Ki = 13000.0 nM 4.89
CHEMBL200511 — Ki = 13600.0 nM 4.87
CHEMBL382971 — Ki = 14000.0 nM 4.85
CHEMBL200599 — Ki = 15000.0 nM 4.82
CHEMBL372410 — Ki = 16000.0 nM 4.80
CHEMBL440035 — Ki = 16000.0 nM 4.80
CHEMBL200543 — Ki = 17000.0 nM 4.77
CHEMBL200708 — Ki = 19000.0 nM 4.72
CHEMBL200602 — Ki = 20000.0 nM 4.70
CHEMBL200455 — Ki = 20000.0 nM 4.70
CHEMBL414669 — Ki = 21000.0 nM 4.68
CHEMBL199470 — Ki = 26000.0 nM 4.58
CHEMBL371064 BALICATIB Ki = 28000.0 nM 4.55
CHEMBL200166 — Ki = 30000.0 nM 4.52
CHEMBL200151 — Ki = 31000.0 nM 4.51
CHEMBL200287 — Ki = 33000.0 nM 4.48
CHEMBL372139 — Ki = 34000.0 nM 4.47
CHEMBL198859 — Ki = 35000.0 nM 4.46
CHEMBL200506 — Ki = 42000.0 nM 4.38