BDBM50175097 (S,Z)-1-(2-cyano-3-(2-methylbenzofuran-5-ylamino)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)acryloyl)urea::CHEMBL381003

SMILES: Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)C(C#N)C(=O)NC(N)=O

InChI Key: InChIKey=VRBWVYPWROKJEU-ANYOKISRSA-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 = 50175097   

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))	BDBM50175097 ((S,Z)-1-(2-cyano-3-(2-methylbenzofuran-5-ylamino)-...) Show SMILES Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)C(C#N)C(=O)NC(N)=O |w:10.11| Show InChI InChI=1S/C26H31N7O5/c1-16-12-17-13-18(7-8-21(17)38-16)29-23(19(14-27)24(35)31-26(28)37)30-20-6-2-3-11-33(25(20)36)15-22(34)32-9-4-5-10-32/h7-8,12-13,19-20H,2-6,9-11,15H2,1H3,(H,29,30)(H3,28,31,35,37)/t19?,20-/m0/s1	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human FXa				Bioorg Med Chem Lett 15: 5453-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.107 BindingDB Entry DOI: 10.7270/Q2KH0MW5
					More data for this Ligand-Target Pair