BDBM50062692 (E)-3-[(Bicyclohexyl-4-carbonyl)-amino]-2-(3-carbamimidoyl-benzyl)-5-phenyl-pent-4-enoic acid methyl ester::CHEMBL138378

SMILES: COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)C1CCC(CC1)C1CCCCC1)\C=C\c1ccccc1

InChI Key: InChIKey=JNGAIJYLBCTUCM-HMMYKYKNSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50062692   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Coagulation factor X (Homo sapiens (Human))	BDBM50062692 ((E)-3-[(Bicyclohexyl-4-carbonyl)-amino]-2-(3-carba...) Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)C1CCC(CC1)C1CCCCC1)\C=C\c1ccccc1 |(9.34,-3.53,;9.34,-5.07,;8.01,-5.84,;6.67,-5.07,;8.01,-7.38,;6.68,-8.15,;5.34,-7.38,;5.34,-5.84,;4,-5.07,;2.67,-5.84,;2.67,-7.38,;4,-8.15,;1.34,-8.15,;.01,-7.38,;1.34,-9.69,;9.34,-8.15,;9.34,-9.69,;10.69,-10.46,;11.44,-9.11,;11.09,-11.95,;9.76,-12.72,;9.78,-14.26,;11.13,-15.01,;12.46,-14.23,;12.44,-12.69,;11.14,-16.55,;12.49,-17.3,;12.49,-18.85,;11.16,-19.63,;9.83,-18.86,;9.82,-17.34,;10.67,-7.38,;12.02,-8.15,;13.35,-7.37,;14.68,-8.14,;16.01,-7.37,;16.01,-5.83,;14.66,-5.06,;13.33,-5.84,)| Show InChI InChI=1S/C33H43N3O3/c1-39-33(38)29(22-24-11-8-14-28(21-24)31(34)35)30(20-15-23-9-4-2-5-10-23)36-32(37)27-18-16-26(17-19-27)25-12-6-3-7-13-25/h2,4-5,8-11,14-15,20-21,25-27,29-30H,3,6-7,12-13,16-19,22H2,1H3,(H3,34,35)(H,36,37)/b20-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Collegeville Curated by ChEMBL					Assay Description Inhibitory activity against human Coagulation factor X				J Med Chem 41: 437-50 (1998) Article DOI: 10.1021/jm970482y BindingDB Entry DOI: 10.7270/Q28W3CFK
					More data for this Ligand-Target Pair