BDBM50226261 6-(2-phenethyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yloxy)nicotinamide::CHEMBL237073

SMILES: NC(=O)c1ccc(Oc2ccc3CN(CCc4ccccc4)CCCc3c2)nc1

InChI Key: InChIKey=KPGVZYLSLRALGU-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 = 50226261   

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))	BDBM50226261 (6-(2-phenethyl-2,3,4,5-tetrahydro-1H-benzo[c]azepi...) Show SMILES NC(=O)c1ccc(Oc2ccc3CN(CCc4ccccc4)CCCc3c2)nc1 Show InChI InChI=1S/C24H25N3O2/c25-24(28)20-9-11-23(26-16-20)29-22-10-8-21-17-27(13-4-7-19(21)15-22)14-12-18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16H,4,7,12-14,17H2,(H2,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	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 cloned human mu opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 6841-6 (2007) Article DOI: 10.1016/j.bmcl.2007.10.025 BindingDB Entry DOI: 10.7270/Q2125TGQ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50226261 (6-(2-phenethyl-2,3,4,5-tetrahydro-1H-benzo[c]azepi...) Show SMILES NC(=O)c1ccc(Oc2ccc3CN(CCc4ccccc4)CCCc3c2)nc1 Show InChI InChI=1S/C24H25N3O2/c25-24(28)20-9-11-23(26-16-20)29-22-10-8-21-17-27(13-4-7-19(21)15-22)14-12-18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16H,4,7,12-14,17H2,(H2,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	169	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 cloned human delta opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 6841-6 (2007) Article DOI: 10.1016/j.bmcl.2007.10.025 BindingDB Entry DOI: 10.7270/Q2125TGQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50226261 (6-(2-phenethyl-2,3,4,5-tetrahydro-1H-benzo[c]azepi...) Show SMILES NC(=O)c1ccc(Oc2ccc3CN(CCc4ccccc4)CCCc3c2)nc1 Show InChI InChI=1S/C24H25N3O2/c25-24(28)20-9-11-23(26-16-20)29-22-10-8-21-17-27(13-4-7-19(21)15-22)14-12-18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16H,4,7,12-14,17H2,(H2,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	361	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 cloned human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 6841-6 (2007) Article DOI: 10.1016/j.bmcl.2007.10.025 BindingDB Entry DOI: 10.7270/Q2125TGQ
					More data for this Ligand-Target Pair