BDBM50296273 (S)-2-cyano-1-(2,3-dimethylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine::CHEMBL554937

SMILES: Cc1oc2ccc(cc2c1C)N=C(NC#N)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O

InChI Key: InChIKey=UMBLTIPSKVLGFU-FQEVSTJZSA-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 = 50296273   

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))	BDBM50296273 ((S)-2-cyano-1-(2,3-dimethylbenzofuran-5-yl)-3-(2-o...) Show SMILES Cc1oc2ccc(cc2c1C)N=C(NC#N)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O |r,w:11.12| Show InChI InChI=1S/C24H30N6O3/c1-16-17(2)33-21-9-8-18(13-19(16)21)27-24(26-15-25)28-20-7-3-4-12-30(23(20)32)14-22(31)29-10-5-6-11-29/h8-9,13,20H,3-7,10-12,14H2,1-2H3,(H2,26,27,28)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	349	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 10a-mediated cleavage of synthetic substrate S-2222				Bioorg Med Chem Lett 19: 4034-41 (2009) Article DOI: 10.1016/j.bmcl.2009.06.014 BindingDB Entry DOI: 10.7270/Q2TQ61KM
					More data for this Ligand-Target Pair