BDBM50296271 (S)-2-cyano-1-(2-cyanobenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine::CHEMBL561516

SMILES: O=C(CN1CCCC[C@H](NC(NC#N)=Nc2ccc3oc(cc3c2)C#N)C1=O)N1CCCC1

InChI Key: InChIKey=TUAZLTNOAXYADT-IBGZPJMESA-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 = 50296271   

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))	BDBM50296271 ((S)-2-cyano-1-(2-cyanobenzofuran-5-yl)-3-(2-oxo-1-...) Show SMILES O=C(CN1CCCC[C@H](NC(NC#N)=Nc2ccc3oc(cc3c2)C#N)C1=O)N1CCCC1 |r,w:14.14| Show InChI InChI=1S/C23H25N7O3/c24-13-18-12-16-11-17(6-7-20(16)33-18)27-23(26-15-25)28-19-5-1-2-10-30(22(19)32)14-21(31)29-8-3-4-9-29/h6-7,11-12,19H,1-5,8-10,14H2,(H2,26,27,28)/t19-/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	2.60E+3	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