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BDBM50083557 CHEMBL113531::N-Benzyl-2-(4-{2-[4-(5-carbamimidoyl-benzofuran-2-carbonyl)-piperazin-1-yl]-2-oxo-ethoxy}-phenoxy)-acetamide

SMILES: NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)COc1ccc(OCC(=O)NCc2ccccc2)cc1

InChI Key: InChIKey=WONPGIGMVCAFNO-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50083557   
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))		BDBM50083557
PNG
(CHEMBL113531 | N-Benzyl-2-(4-{2-[4-(5-carbamimidoy...)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)COc1ccc(OCC(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C31H31N5O6/c32-30(33)22-6-11-26-23(16-22)17-27(42-26)31(39)36-14-12-35(13-15-36)29(38)20-41-25-9-7-24(8-10-25)40-19-28(37)34-18-21-4-2-1-3-5-21/h1-11,16-17H,12-15,18-20H2,(H3,32,33)(H,34,37)
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PC sid
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Similars
PubMed
 2.80E+4n/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