BDBM54784 2-[5-[(4-tert-butylbenzyl)thio]-4-(2-furfuryl)-1,2,4-triazol-3-yl]pyridine::2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine::2-[5-[(4-tert-butylphenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine::MLS000569766::SMR000155170::cid_2482316

SMILES: CC(C)(C)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1

InChI Key: InChIKey=OKSJPILHDREZGI-UHFFFAOYSA-N

Data: 3 IC50  5 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 8 hits for monomerid = 54784   

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))	BDBM54784 (2-[5-[(4-tert-butylbenzyl)thio]-4-(2-furfuryl)-1,2...) Show SMILES CC(C)(C)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 Show InChI InChI=1S/C23H24N4OS/c1-23(2,3)18-11-9-17(10-12-18)16-29-22-26-25-21(20-8-4-5-13-24-20)27(22)15-19-7-6-14-28-19/h4-14H,15-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.02E+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 (2009) BindingDB Entry DOI: 10.7270/Q2MG7MZP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM54784 (2-[5-[(4-tert-butylbenzyl)thio]-4-(2-furfuryl)-1,2...) Show SMILES CC(C)(C)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 Show InChI InChI=1S/C23H24N4OS/c1-23(2,3)18-11-9-17(10-12-18)16-29-22-26-25-21(20-8-4-5-13-24-20)27(22)15-19-7-6-14-28-19/h4-14H,15-16H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2G44NRK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM54784 (2-[5-[(4-tert-butylbenzyl)thio]-4-(2-furfuryl)-1,2...) Show SMILES CC(C)(C)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 Show InChI InChI=1S/C23H24N4OS/c1-23(2,3)18-11-9-17(10-12-18)16-29-22-26-25-21(20-8-4-5-13-24-20)27(22)15-19-7-6-14-28-19/h4-14H,15-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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/Q25T3HZB
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM54784 (2-[5-[(4-tert-butylbenzyl)thio]-4-(2-furfuryl)-1,2...) Show SMILES CC(C)(C)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 Show InChI InChI=1S/C23H24N4OS/c1-23(2,3)18-11-9-17(10-12-18)16-29-22-26-25-21(20-8-4-5-13-24-20)27(22)15-19-7-6-14-28-19/h4-14H,15-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.01E+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/Q2N014Z3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM54784 (2-[5-[(4-tert-butylbenzyl)thio]-4-(2-furfuryl)-1,2...) Show SMILES CC(C)(C)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 Show InChI InChI=1S/C23H24N4OS/c1-23(2,3)18-11-9-17(10-12-18)16-29-22-26-25-21(20-8-4-5-13-24-20)27(22)15-19-7-6-14-28-19/h4-14H,15-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q28K77JP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM54784 (2-[5-[(4-tert-butylbenzyl)thio]-4-(2-furfuryl)-1,2...) Show SMILES CC(C)(C)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 Show InChI InChI=1S/C23H24N4OS/c1-23(2,3)18-11-9-17(10-12-18)16-29-22-26-25-21(20-8-4-5-13-24-20)27(22)15-19-7-6-14-28-19/h4-14H,15-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	600	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/Q24T6GTZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM54784 (2-[5-[(4-tert-butylbenzyl)thio]-4-(2-furfuryl)-1,2...) Show SMILES CC(C)(C)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 Show InChI InChI=1S/C23H24N4OS/c1-23(2,3)18-11-9-17(10-12-18)16-29-22-26-25-21(20-8-4-5-13-24-20)27(22)15-19-7-6-14-28-19/h4-14H,15-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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/Q2125R3Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM54784 (2-[5-[(4-tert-butylbenzyl)thio]-4-(2-furfuryl)-1,2...) Show SMILES CC(C)(C)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 Show InChI InChI=1S/C23H24N4OS/c1-23(2,3)18-11-9-17(10-12-18)16-29-22-26-25-21(20-8-4-5-13-24-20)27(22)15-19-7-6-14-28-19/h4-14H,15-16H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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/Q2NS0SBF
					More data for this Ligand-Target Pair