BDBM50219912 2-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide::CHEMBL236392

SMILES: NC(=O)c1cccnc1Oc1ccc(CCNCc2ccccc2)cc1

InChI Key: InChIKey=GVUCSVIJHDIURV-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 = 50219912   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50219912 (2-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...) Show SMILES NC(=O)c1cccnc1Oc1ccc(CCNCc2ccccc2)cc1 Show InChI InChI=1S/C21H21N3O2/c22-20(25)19-7-4-13-24-21(19)26-18-10-8-16(9-11-18)12-14-23-15-17-5-2-1-3-6-17/h1-11,13,23H,12,14-15H2,(H2,22,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay				Bioorg Med Chem Lett 17: 5349-52 (2007) Article DOI: 10.1016/j.bmcl.2007.08.008 BindingDB Entry DOI: 10.7270/Q2668CX7
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50219912 (2-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...) Show SMILES NC(=O)c1cccnc1Oc1ccc(CCNCc2ccccc2)cc1 Show InChI InChI=1S/C21H21N3O2/c22-20(25)19-7-4-13-24-21(19)26-18-10-8-16(9-11-18)12-14-23-15-17-5-2-1-3-6-17/h1-11,13,23H,12,14-15H2,(H2,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA				Bioorg Med Chem Lett 17: 5349-52 (2007) Article DOI: 10.1016/j.bmcl.2007.08.008 BindingDB Entry DOI: 10.7270/Q2668CX7
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50219912 (2-(4-(2-(benzylamino)ethyl)phenoxy)nicotinamide | ...) Show SMILES NC(=O)c1cccnc1Oc1ccc(CCNCc2ccccc2)cc1 Show InChI InChI=1S/C21H21N3O2/c22-20(25)19-7-4-13-24-21(19)26-18-10-8-16(9-11-18)12-14-23-15-17-5-2-1-3-6-17/h1-11,13,23H,12,14-15H2,(H2,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]bremazocine from human delta opioid receptor expressed in CHO cells in presence of high sodium by SPA				Bioorg Med Chem Lett 17: 5349-52 (2007) Article DOI: 10.1016/j.bmcl.2007.08.008 BindingDB Entry DOI: 10.7270/Q2668CX7
					More data for this Ligand-Target Pair