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Assay Detail

CHEMBL4149969

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

Binding
Displacement of 19F[(S)-methyl 2-((2-(3-(trifluoromethoxy)phenylcarbamoyl)pyrrolidine-1-carboxamido)methyl)benzoate] from complement factor D (unknown origin) by NMR based FAXS analysis
13
Total Activities
13
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Complement factor D (CHEMBL2176771)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
Vulpetti A, Ostermann N, Randl S, Yoon T, Mac Sweeney A, Cumin F, Lorthiois E, Rüdisser S, Erbel P, Maibaum J.
ACS Med Chem Lett (2018) 9 : 490 -495
PubMed 29795765 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 13 4.28 4.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4161639 1 4.70
CHEMBL4163988 1 4.46
CHEMBL4174337 1 4.30
CHEMBL4176772 1 4.30
CHEMBL4161222 1 4.10
CHEMBL4166600 1 4.10
CHEMBL4168539 1 4.00
CHEMBL4171835 1 -
CHEMBL4176751 1 -
CHEMBL4159632 1 -
CHEMBL4170258 1 -
CHEMBL4176735 1 -
CHEMBL4169870 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4161639 Kd = 20000.0 nM 4.70
CHEMBL4163988 Kd = 35000.0 nM 4.46
CHEMBL4174337 Kd = 50000.0 nM 4.30
CHEMBL4176772 Kd = 50000.0 nM 4.30
CHEMBL4161222 Kd = 80000.0 nM 4.10
CHEMBL4166600 Kd = 80000.0 nM 4.10
CHEMBL4168539 Kd = 100000.0 nM 4.00
CHEMBL4171835 Kd < 10000.0 nM -
CHEMBL4176751 Kd = 160000.0 nM -
CHEMBL4159632 Kd = 220000.0 nM -
CHEMBL4170258 Kd = 120000.0 nM -
CHEMBL4176735 Kd = 680000.0 nM -
CHEMBL4169870 Kd = 170000.0 nM -