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BDBM50295585 (R)-4-chloro-N-(1-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenylamino)-2-oxoethyl)pyrrolidin-3-yl)cyclopenta-1,3-dienecarboxamide::5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide::CHEMBL557915

SMILES: Fc1cc(ccc1NC(=O)CN1CC[C@H](C1)NC(=O)c1ccc(Cl)s1)-n1ccccc1=O

InChI Key: InChIKey=IYGIXVNAMZPBDK-CQSZACIVSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50295585   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


(Homo sapiens (Human))
BDBM50295585
PNG
((R)-4-chloro-N-(1-(2-(2-fluoro-4-(2-oxopyridin-1(2...)
Show SMILES Fc1cc(ccc1NC(=O)CN1CC[C@H](C1)NC(=O)c1ccc(Cl)s1)-n1ccccc1=O
Show InChI InChI=1S/C22H20ClFN4O3S/c23-19-7-6-18(32-19)22(31)25-14-8-10-27(12-14)13-20(29)26-17-5-4-15(11-16(17)24)28-9-2-1-3-21(28)30/h1-7,9,11,14H,8,10,12-13H2,(H,25,31)(H,26,29)/t14-/m1/s1
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Article
PubMed
8n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)