BDBM75399 2-[4-(2-thenyl)-5-[(2,3,4-trifluorobenzyl)thio]-1,2,4-triazol-3-yl]pyridine::2-[4-(thiophen-2-ylmethyl)-5-[(2,3,4-trifluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine::2-[4-(thiophen-2-ylmethyl)-5-[(2,3,4-trifluorophenyl)methylthio]-1,2,4-triazol-3-yl]pyridine::2-[4-(thiophen-2-ylmethyl)-5-[[2,3,4-tris(fluoranyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine::KSC-5-289F12::KUC104203N::cid_44620921

SMILES: Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(F)c1F

InChI Key: InChIKey=UKOZMUQTAPXJFT-UHFFFAOYSA-N

Data: 4 EC50

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 4 hits for monomerid = 75399   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM75399 (2-[4-(2-thenyl)-5-[(2,3,4-trifluorobenzyl)thio]-1,...) Show SMILES Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(F)c1F Show InChI InChI=1S/C19H13F3N4S2/c20-14-7-6-12(16(21)17(14)22)11-28-19-25-24-18(15-5-1-2-8-23-15)26(19)10-13-4-3-9-27-13/h1-9H,10-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.04E+3	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2707ZWP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM75399 (2-[4-(2-thenyl)-5-[(2,3,4-trifluorobenzyl)thio]-1,...) Show SMILES Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(F)c1F Show InChI InChI=1S/C19H13F3N4S2/c20-14-7-6-12(16(21)17(14)22)11-28-19-25-24-18(15-5-1-2-8-23-15)26(19)10-13-4-3-9-27-13/h1-9H,10-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.73E+3	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Net...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2BG2MG1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM75399 (2-[4-(2-thenyl)-5-[(2,3,4-trifluorobenzyl)thio]-1,...) Show SMILES Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(F)c1F Show InChI InChI=1S/C19H13F3N4S2/c20-14-7-6-12(16(21)17(14)22)11-28-19-25-24-18(15-5-1-2-8-23-15)26(19)10-13-4-3-9-27-13/h1-9H,10-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2VD6WXN
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM75399 (2-[4-(2-thenyl)-5-[(2,3,4-trifluorobenzyl)thio]-1,...) Show SMILES Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(F)c1F Show InChI InChI=1S/C19H13F3N4S2/c20-14-7-6-12(16(21)17(14)22)11-28-19-25-24-18(15-5-1-2-8-23-15)26(19)10-13-4-3-9-27-13/h1-9H,10-11H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23X854R
					More data for this Ligand-Target Pair