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BDBM50215415 CHEMBL98951

SMILES: Cc1cnc(NCCc2ccc3CCCc3c2)c(=O)n1CC(=O)NCc1ccc2n(N)ccc2c1

InChI Key: InChIKey=SWKAIEYBLNNKQY-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50215415   
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))		BDBM50215415
PNG
(CHEMBL98951)
Show SMILES Cc1cnc(NCCc2ccc3CCCc3c2)c(=O)n1CC(=O)NCc1ccc2n(N)ccc2c1
Show InChI InChI=1S/C27H30N6O2/c1-18-15-31-26(29-11-9-19-5-7-21-3-2-4-22(21)13-19)27(35)32(18)17-25(34)30-16-20-6-8-24-23(14-20)10-12-33(24)28/h5-8,10,12-15H,2-4,9,11,16-17,28H2,1H3,(H,29,31)(H,30,34)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
 1.24E+4n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate

Bioorg Med Chem Lett 12: 2925-30 (2002)


BindingDB Entry DOI: 10.7270/Q27946WJ
More data for this
Ligand-Target Pair