BDBM65821 2-[5-(benzylthio)-4-(2-thenyl)-1,2,4-triazol-3-yl]pyridine::2-[5-(phenylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine::2-[5-(phenylmethylthio)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine::2-[5-benzylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine::KSC-5-247A::KUC103897N::cid_44601467

SMILES: C(Sc1nnc(-c2ccccn2)n1Cc1cccs1)c1ccccc1

InChI Key: InChIKey=YTDFSDPAYZLWFT-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 = 65821   

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))	BDBM65821 (2-[5-(benzylthio)-4-(2-thenyl)-1,2,4-triazol-3-yl]...) Show SMILES C(Sc1nnc(-c2ccccn2)n1Cc1cccs1)c1ccccc1 Show InChI InChI=1S/C19H16N4S2/c1-2-7-15(8-3-1)14-25-19-22-21-18(17-10-4-5-11-20-17)23(19)13-16-9-6-12-24-16/h1-12H,13-14H2	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))	BDBM65821 (2-[5-(benzylthio)-4-(2-thenyl)-1,2,4-triazol-3-yl]...) Show SMILES C(Sc1nnc(-c2ccccn2)n1Cc1cccs1)c1ccccc1 Show InChI InChI=1S/C19H16N4S2/c1-2-7-15(8-3-1)14-25-19-22-21-18(17-10-4-5-11-20-17)23(19)13-16-9-6-12-24-16/h1-12H,13-14H2	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))	BDBM65821 (2-[5-(benzylthio)-4-(2-thenyl)-1,2,4-triazol-3-yl]...) Show SMILES C(Sc1nnc(-c2ccccn2)n1Cc1cccs1)c1ccccc1 Show InChI InChI=1S/C19H16N4S2/c1-2-7-15(8-3-1)14-25-19-22-21-18(17-10-4-5-11-20-17)23(19)13-16-9-6-12-24-16/h1-12H,13-14H2	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	1.39E+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/Q2D50KDG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM65821 (2-[5-(benzylthio)-4-(2-thenyl)-1,2,4-triazol-3-yl]...) Show SMILES C(Sc1nnc(-c2ccccn2)n1Cc1cccs1)c1ccccc1 Show InChI InChI=1S/C19H16N4S2/c1-2-7-15(8-3-1)14-25-19-22-21-18(17-10-4-5-11-20-17)23(19)13-16-9-6-12-24-16/h1-12H,13-14H2	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	2.35E+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 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))	BDBM65821 (2-[5-(benzylthio)-4-(2-thenyl)-1,2,4-triazol-3-yl]...) Show SMILES C(Sc1nnc(-c2ccccn2)n1Cc1cccs1)c1ccccc1 Show InChI InChI=1S/C19H16N4S2/c1-2-7-15(8-3-1)14-25-19-22-21-18(17-10-4-5-11-20-17)23(19)13-16-9-6-12-24-16/h1-12H,13-14H2	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