BDBM50249324 CHEMBL471921::N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)-5-(ethylthio)benzamide

SMILES: CCSc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1

InChI Key: InChIKey=QOTJWMOUCVZFKE-UHFFFAOYSA-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 = 50249324   

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))	BDBM50249324 (CHEMBL471921 | N-(5-chloropyridin-2-yl)-2-(4-(N,N-...) Show SMILES CCSc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C24H24ClN5O2S/c1-4-33-18-10-11-20(19(13-18)24(32)29-21-12-9-17(25)14-27-21)28-23(31)16-7-5-15(6-8-16)22(26)30(2)3/h5-14,26H,4H2,1-3H3,(H,28,31)(H,27,29,32)	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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 2179-85 (2009) Article DOI: 10.1016/j.bmcl.2009.02.111 BindingDB Entry DOI: 10.7270/Q22Z15F5
					More data for this Ligand-Target Pair