BDBM50190371 1-{3-[4-(tert-butyl)phenyl]-5-[2-(N,N-dimethylamino)ethyl]-(1,2,4-triazol-4-yl)}-3-phenol::CHEMBL377786

SMILES: CN(C)CCc1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1

InChI Key: InChIKey=GXCHDJZRSKYWDS-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 = 50190371   

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))	BDBM50190371 (1-{3-[4-(tert-butyl)phenyl]-5-[2-(N,N-dimethylamin...) Show SMILES CN(C)CCc1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1 Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-11-9-16(10-12-17)21-24-23-20(13-14-25(4)5)26(21)18-7-6-8-19(27)15-18/h6-12,15,27H,13-14H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	900	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))	BDBM50190371 (1-{3-[4-(tert-butyl)phenyl]-5-[2-(N,N-dimethylamin...) Show SMILES CN(C)CCc1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1 Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-11-9-16(10-12-17)21-24-23-20(13-14-25(4)5)26(21)18-7-6-8-19(27)15-18/h6-12,15,27H,13-14H2,1-5H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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))	BDBM50190371 (1-{3-[4-(tert-butyl)phenyl]-5-[2-(N,N-dimethylamin...) Show SMILES CN(C)CCc1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1 Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-11-9-16(10-12-17)21-24-23-20(13-14-25(4)5)26(21)18-7-6-8-19(27)15-18/h6-12,15,27H,13-14H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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