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BDBM50111731 CHEMBL19740::N-(5-Amino-pyrazin-2-ylmethyl)-2-{3-[2,2-difluoro-2-(4-fluoro-phenyl)-ethylamino]-6-methyl-2-oxo-2H-pyrazin-1-yl}-acetamide

SMILES: Cc1cnc(NCC(F)(F)c2ccc(F)cc2)c(=O)n1CC(=O)NCc1cnc(N)cn1

InChI Key: InChIKey=NGDOXVCRDUGIHC-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50111731   
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
Prothrombin


(Homo sapiens (Human))		BDBM50111731
PNG
(CHEMBL19740 | N-(5-Amino-pyrazin-2-ylmethyl)-2-{3-...)
Show SMILES Cc1cnc(NCC(F)(F)c2ccc(F)cc2)c(=O)n1CC(=O)NCc1cnc(N)cn1
Show InChI InChI=1S/C20H20F3N7O2/c1-12-6-28-18(29-11-20(22,23)13-2-4-14(21)5-3-13)19(32)30(12)10-17(31)27-8-15-7-26-16(24)9-25-15/h2-7,9H,8,10-11H2,1H3,(H2,24,26)(H,27,31)(H,28,29)
PDB

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PC sid
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Similars
PubMed
 5.90n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).

Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair