BDBM65822 2-[5-[(4-methylbenzyl)thio]-4-(2-thenyl)-1,2,4-triazol-3-yl]pyridine::2-[5-[(4-methylphenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine::2-[5-[(4-methylphenyl)methylthio]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine::KSC-5-247B::KUC103898N::cid_44601473

SMILES: Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1

InChI Key: InChIKey=MOYWWOZMMWATFP-UHFFFAOYSA-N

Data: 1 IC50  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 5 hits for monomerid = 65822   

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))	BDBM65822 (2-[5-[(4-methylbenzyl)thio]-4-(2-thenyl)-1,2,4-tri...) Show SMILES Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1 Show InChI InChI=1S/C20H18N4S2/c1-15-7-9-16(10-8-15)14-26-20-23-22-19(18-6-2-3-11-21-18)24(20)13-17-5-4-12-25-17/h2-12H,13-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>3.20E+4	n/a	n/a	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 Network: NIH Molecular Lib...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2X63KC5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM65822 (2-[5-[(4-methylbenzyl)thio]-4-(2-thenyl)-1,2,4-tri...) Show SMILES Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1 Show InChI InChI=1S/C20H18N4S2/c1-15-7-9-16(10-8-15)14-26-20-23-22-19(18-6-2-3-11-21-18)24(20)13-17-5-4-12-25-17/h2-12H,13-14H2,1H3	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/Q2SF2TNF
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM65822 (2-[5-[(4-methylbenzyl)thio]-4-(2-thenyl)-1,2,4-tri...) Show SMILES Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1 Show InChI InChI=1S/C20H18N4S2/c1-15-7-9-16(10-8-15)14-26-20-23-22-19(18-6-2-3-11-21-18)24(20)13-17-5-4-12-25-17/h2-12H,13-14H2,1H3	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	3.59E+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/Q2D50KDG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM65822 (2-[5-[(4-methylbenzyl)thio]-4-(2-thenyl)-1,2,4-tri...) Show SMILES Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1 Show InChI InChI=1S/C20H18N4S2/c1-15-7-9-16(10-8-15)14-26-20-23-22-19(18-6-2-3-11-21-18)24(20)13-17-5-4-12-25-17/h2-12H,13-14H2,1H3	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	2.38E+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 Network: NIH Molecular Lib...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2HX1B4W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM65822 (2-[5-[(4-methylbenzyl)thio]-4-(2-thenyl)-1,2,4-tri...) Show SMILES Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1 Show InChI InChI=1S/C20H18N4S2/c1-15-7-9-16(10-8-15)14-26-20-23-22-19(18-6-2-3-11-21-18)24(20)13-17-5-4-12-25-17/h2-12H,13-14H2,1H3	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, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2NP22WN
					More data for this Ligand-Target Pair