BDBM50190366 1-{3-[4-(tert-butyl)phenyl]-5-N,N-dimethylamino-(1,2,4-triazol-4-yl)}-3-methoxybenzene::CHEMBL211673

SMILES: COc1cccc(c1)-n1c(nnc1-c1ccc(cc1)C(C)(C)C)N(C)C

InChI Key: InChIKey=KMHZSWOKFAORBT-UHFFFAOYSA-N

Data: 3 KI

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 = 50190366   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50190366 (1-{3-[4-(tert-butyl)phenyl]-5-N,N-dimethylamino-(1...) Show SMILES COc1cccc(c1)-n1c(nnc1-c1ccc(cc1)C(C)(C)C)N(C)C Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-12-10-15(11-13-16)19-22-23-20(24(4)5)25(19)17-8-7-9-18(14-17)26-6/h7-14H,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute Curated by ChEMBL					Assay Description Inhibition of (-)-[9-3H]bremazocine binding to delta opioid receptor expressed in HEK293 cells				J Med Chem 49: 4044-7 (2006) Article DOI: 10.1021/jm0601250 BindingDB Entry DOI: 10.7270/Q29S1RV1
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50190366 (1-{3-[4-(tert-butyl)phenyl]-5-N,N-dimethylamino-(1...) Show SMILES COc1cccc(c1)-n1c(nnc1-c1ccc(cc1)C(C)(C)C)N(C)C Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-12-10-15(11-13-16)19-22-23-20(24(4)5)25(19)17-8-7-9-18(14-17)26-6/h7-14H,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute Curated by ChEMBL					Assay Description Inhibition of (-)-[9-3H]bremazocine binding to kappa opioid receptor expressed in HEK293 cells				J Med Chem 49: 4044-7 (2006) Article DOI: 10.1021/jm0601250 BindingDB Entry DOI: 10.7270/Q29S1RV1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50190366 (1-{3-[4-(tert-butyl)phenyl]-5-N,N-dimethylamino-(1...) Show SMILES COc1cccc(c1)-n1c(nnc1-c1ccc(cc1)C(C)(C)C)N(C)C Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-12-10-15(11-13-16)19-22-23-20(24(4)5)25(19)17-8-7-9-18(14-17)26-6/h7-14H,1-6H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute Curated by ChEMBL					Assay Description Inhibition of (-)-[9-3H]bremazocine binding to mu opioid receptor expressed in HEK293 cells				J Med Chem 49: 4044-7 (2006) Article DOI: 10.1021/jm0601250 BindingDB Entry DOI: 10.7270/Q29S1RV1
					More data for this Ligand-Target Pair