BDBM50131195 4-(1-Benzyl-5-mercapto-1H-[1,2,4]triazol-3-yl)-benzonitrile::CHEMBL312883

SMILES: S=c1[nH]c(nn1Cc1ccccc1)-c1ccc(cc1)C#N

InChI Key: InChIKey=HOXHQQHKBWNEJH-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 = 50131195   

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
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50131195 (4-(1-Benzyl-5-mercapto-1H-[1,2,4]triazol-3-yl)-ben...) Show SMILES S=c1[nH]c(nn1Cc1ccccc1)-c1ccc(cc1)C#N Show InChI InChI=1S/C16H12N4S/c17-10-12-6-8-14(9-7-12)15-18-16(21)20(19-15)11-13-4-2-1-3-5-13/h1-9H,11H2,(H,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-IL8 to human recombinant CXC chemokine receptor 2 (CXCR2) expressed in HEK 293 membranes				Bioorg Med Chem Lett 13: 2625-8 (2003) BindingDB Entry DOI: 10.7270/Q2B56J5K
					More data for this Ligand-Target Pair