BDBM50304080 (5-(4-tert-Butylphenyl)-1-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine::CHEMBL595448

SMILES: COc1cccc(c1)-n1nc(CN(C)C)nc1-c1ccc(cc1)C(C)(C)C

InChI Key: InChIKey=UKDIWNQPBFBSOR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50304080   

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 (Rattus norvegicus (rat))	BDBM50304080 ((5-(4-tert-Butylphenyl)-1-(3-methoxyphenyl)-1H-1,2...) Show SMILES COc1cccc(c1)-n1nc(CN(C)C)nc1-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-12-10-16(11-13-17)21-23-20(15-25(4)5)24-26(21)18-8-7-9-19(14-18)27-6/h7-14H,15H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ Curated by ChEMBL					Assay Description Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 6442-50 (2009) Article DOI: 10.1016/j.bmc.2009.07.007 BindingDB Entry DOI: 10.7270/Q2QZ2B14
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50304080 ((5-(4-tert-Butylphenyl)-1-(3-methoxyphenyl)-1H-1,2...) Show SMILES COc1cccc(c1)-n1nc(CN(C)C)nc1-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-12-10-16(11-13-17)21-23-20(15-25(4)5)24-26(21)18-8-7-9-19(14-18)27-6/h7-14H,15H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ Curated by ChEMBL					Assay Description Displacement of [3H]bremazocine from mouse delta opioid receptor expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 6442-50 (2009) Article DOI: 10.1016/j.bmc.2009.07.007 BindingDB Entry DOI: 10.7270/Q2QZ2B14
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50304080 ((5-(4-tert-Butylphenyl)-1-(3-methoxyphenyl)-1H-1,2...) Show SMILES COc1cccc(c1)-n1nc(CN(C)C)nc1-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-12-10-16(11-13-17)21-23-20(15-25(4)5)24-26(21)18-8-7-9-19(14-18)27-6/h7-14H,15H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ Curated by ChEMBL					Assay Description Displacement of [3H]bremazocine from mouse mu opioid receptor expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 6442-50 (2009) Article DOI: 10.1016/j.bmc.2009.07.007 BindingDB Entry DOI: 10.7270/Q2QZ2B14
					More data for this Ligand-Target Pair