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BDBM50083562 2-(4-{2-[4-(5-Carbamimidoyl-benzofuran-2-carbonyl)-piperazin-1-yl]-2-oxo-ethoxy}-phenoxy)-N-[4-(1H-imidazol-4-yl)-phenyl]-acetamide::CHEMBL109627

SMILES: NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)COc1ccc(OCC(=O)Nc2ccc(cc2)-c2c[nH]cn2)cc1

InChI Key: InChIKey=VBAJPKSMBCMKKL-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50083562   
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))		BDBM50083562
PNG
(2-(4-{2-[4-(5-Carbamimidoyl-benzofuran-2-carbonyl)...)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)COc1ccc(OCC(=O)Nc2ccc(cc2)-c2c[nH]cn2)cc1
Show InChI InChI=1S/C33H31N7O6/c34-32(35)22-3-10-28-23(15-22)16-29(46-28)33(43)40-13-11-39(12-14-40)31(42)19-45-26-8-6-25(7-9-26)44-18-30(41)38-24-4-1-21(2-5-24)27-17-36-20-37-27/h1-10,15-17,20H,11-14,18-19H2,(H3,34,35)(H,36,37)(H,38,41)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
 5.30E+3n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, LTD.

Curated by ChEMBL


Assay Description
Inhibition of thrombin

Bioorg Med Chem Lett 9: 3285-90 (2000)


BindingDB Entry DOI: 10.7270/Q2TX3DK3
More data for this
Ligand-Target Pair