BDBM50175099 (S,Z)-3-(2-methylbenzofuran-5-ylamino)-2-(4-methylpiperidine-1-carbonyl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)acrylonitrile::CHEMBL200961

SMILES: CC1CCN(CC1)C(=O)C(C#N)C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1ccc2oc(C)cc2c1

InChI Key: InChIKey=PICGJRGDBXSJIR-AMVUTOCUSA-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 = 50175099   

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))	BDBM50175099 ((S,Z)-3-(2-methylbenzofuran-5-ylamino)-2-(4-methyl...) Show SMILES CC1CCN(CC1)C(=O)C(C#N)C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1ccc2oc(C)cc2c1 |w:30.33| Show InChI InChI=1S/C31H40N6O4/c1-21-10-15-36(16-11-21)30(39)25(19-32)29(33-24-8-9-27-23(18-24)17-22(2)41-27)34-26-7-3-4-14-37(31(26)40)20-28(38)35-12-5-6-13-35/h8-9,17-18,21,25-26H,3-7,10-16,20H2,1-2H3,(H,33,34)/t25?,26-/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	57	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