BDBM50190363 1-{3-[3-(tert-butyl) phenyl]-5-N,N-dimethylamino-(1,2,4-triazol-4-yl) }-3-phenol::CHEMBL377357

SMILES: CN(C)c1nnc(-c2cccc(c2)C(C)(C)C)n1-c1cccc(O)c1

InChI Key: InChIKey=LSXXGRSRXNOSOV-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 = 50190363   

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))	BDBM50190363 (1-{3-[3-(tert-butyl) phenyl]-5-N,N-dimethylamino-(...) Show SMILES CN(C)c1nnc(-c2cccc(c2)C(C)(C)C)n1-c1cccc(O)c1 Show InChI InChI=1S/C20H24N4O/c1-20(2,3)15-9-6-8-14(12-15)18-21-22-19(23(4)5)24(18)16-10-7-11-17(25)13-16/h6-13,25H,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.05E+3	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50190363 (1-{3-[3-(tert-butyl) phenyl]-5-N,N-dimethylamino-(...) Show SMILES CN(C)c1nnc(-c2cccc(c2)C(C)(C)C)n1-c1cccc(O)c1 Show InChI InChI=1S/C20H24N4O/c1-20(2,3)15-9-6-8-14(12-15)18-21-22-19(23(4)5)24(18)16-10-7-11-17(25)13-16/h6-13,25H,1-5H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50190363 (1-{3-[3-(tert-butyl) phenyl]-5-N,N-dimethylamino-(...) Show SMILES CN(C)c1nnc(-c2cccc(c2)C(C)(C)C)n1-c1cccc(O)c1 Show InChI InChI=1S/C20H24N4O/c1-20(2,3)15-9-6-8-14(12-15)18-21-22-19(23(4)5)24(18)16-10-7-11-17(25)13-16/h6-13,25H,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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