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BDBM50083553 1,3-di{4-[5-amino(imino)methylbenzo[b]furan-2-ylcarbonyl]hexahydro-1-pyrazinyl}-1,3-propanedione::CHEMBL110645

SMILES: NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)CC(=O)N1CCN(CC1)C(=O)c1cc2cc(ccc2o1)C(N)=N

InChI Key: InChIKey=XREVYUWVWGLALD-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50083553   
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))		BDBM50083553
PNG
(1,3-di{4-[5-amino(imino)methylbenzo[b]furan-2-ylca...)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)CC(=O)N1CCN(CC1)C(=O)c1cc2cc(ccc2o1)C(N)=N
Show InChI InChI=1S/C31H32N8O6/c32-28(33)18-1-3-22-20(13-18)15-24(44-22)30(42)38-9-5-36(6-10-38)26(40)17-27(41)37-7-11-39(12-8-37)31(43)25-16-21-14-19(29(34)35)2-4-23(21)45-25/h1-4,13-16H,5-12,17H2,(H3,32,33)(H3,34,35)
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Similars
PubMed
 8.20E+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