BDBM50190359 1-[(3-naphthalen-2-yl)-5-N,N-dimethylamino-(1,2,4-triazol-4-yl) ]-3-phenol::CHEMBL377643

SMILES: CN(C)c1nnc(-c2ccc3ccccc3c2)n1-c1cccc(O)c1

InChI Key: InChIKey=RQQBVBFYGSVQNK-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 = 50190359   

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))	BDBM50190359 (1-[(3-naphthalen-2-yl)-5-N,N-dimethylamino-(1,2,4-...) Show SMILES CN(C)c1nnc(-c2ccc3ccccc3c2)n1-c1cccc(O)c1 Show InChI InChI=1S/C20H18N4O/c1-23(2)20-22-21-19(24(20)17-8-5-9-18(25)13-17)16-11-10-14-6-3-4-7-15(14)12-16/h3-13,25H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	480	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))	BDBM50190359 (1-[(3-naphthalen-2-yl)-5-N,N-dimethylamino-(1,2,4-...) Show SMILES CN(C)c1nnc(-c2ccc3ccccc3c2)n1-c1cccc(O)c1 Show InChI InChI=1S/C20H18N4O/c1-23(2)20-22-21-19(24(20)17-8-5-9-18(25)13-17)16-11-10-14-6-3-4-7-15(14)12-16/h3-13,25H,1-2H3	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50190359 (1-[(3-naphthalen-2-yl)-5-N,N-dimethylamino-(1,2,4-...) Show SMILES CN(C)c1nnc(-c2ccc3ccccc3c2)n1-c1cccc(O)c1 Show InChI InChI=1S/C20H18N4O/c1-23(2)20-22-21-19(24(20)17-8-5-9-18(25)13-17)16-11-10-14-6-3-4-7-15(14)12-16/h3-13,25H,1-2H3	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