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BDBM50083545 1,7-di{4-[5-amino(imino)methylbenzo[b]furan-2-ylcarbonyl]hexahydro-1-pyrazinyl}-1,7-heptanedione::CHEMBL326443

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

InChI Key: InChIKey=BOBGXJZDNAIEOS-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50083545   
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))		BDBM50083545
PNG
(1,7-di{4-[5-amino(imino)methylbenzo[b]furan-2-ylca...)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)CCCCCC(=O)N1CCN(CC1)C(=O)c1cc2cc(ccc2o1)C(N)=N
Show InChI InChI=1S/C35H40N8O6/c36-32(37)22-6-8-26-24(18-22)20-28(48-26)34(46)42-14-10-40(11-15-42)30(44)4-2-1-3-5-31(45)41-12-16-43(17-13-41)35(47)29-21-25-19-23(33(38)39)7-9-27(25)49-29/h6-9,18-21H,1-5,10-17H2,(H3,36,37)(H3,38,39)
PDB

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UniChem

Similars
PubMed
 8.50E+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