BDBM56533 1-benzoyl-3-(4-chlorophenyl)-5-(methylthio)-1H-1,2,4-triazole::MLS000579578::SMR000199016::[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-phenyl-methanone::[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-phenylmethanone::[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenyl-methanone::[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone::cid_828532

SMILES: CSc1nc(nn1C(=O)c1ccccc1)-c1ccc(Cl)cc1

InChI Key: InChIKey=MRAAINIKTLQAMC-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 = 56533   

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
Kallikrein 5 (Homo sapiens (Human))	BDBM56533 (1-benzoyl-3-(4-chlorophenyl)-5-(methylthio)-1H-1,2...) Show SMILES CSc1nc(nn1C(=O)c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H12ClN3OS/c1-22-16-18-14(11-7-9-13(17)10-8-11)19-20(16)15(21)12-5-3-2-4-6-12/h2-10H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GH9GC8
					More data for this Ligand-Target Pair