BDBM50226244 6-(2-isopentyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yloxy)nicotinamide::CHEMBL237718

SMILES: CC(C)CCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1

InChI Key: InChIKey=FYVOABSNOLJXJQ-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 = 50226244   

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))	BDBM50226244 (6-(2-isopentyl-2,3,4,5-tetrahydro-1H-benzo[c]azepi...) Show SMILES CC(C)CCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1 Show InChI InChI=1S/C21H27N3O2/c1-15(2)9-11-24-10-3-4-16-12-19(7-5-18(16)14-24)26-20-8-6-17(13-23-20)21(22)25/h5-8,12-13,15H,3-4,9-11,14H2,1-2H3,(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	11	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50226244 (6-(2-isopentyl-2,3,4,5-tetrahydro-1H-benzo[c]azepi...) Show SMILES CC(C)CCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1 Show InChI InChI=1S/C21H27N3O2/c1-15(2)9-11-24-10-3-4-16-12-19(7-5-18(16)14-24)26-20-8-6-17(13-23-20)21(22)25/h5-8,12-13,15H,3-4,9-11,14H2,1-2H3,(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	78	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50226244 (6-(2-isopentyl-2,3,4,5-tetrahydro-1H-benzo[c]azepi...) Show SMILES CC(C)CCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1 Show InChI InChI=1S/C21H27N3O2/c1-15(2)9-11-24-10-3-4-16-12-19(7-5-18(16)14-24)26-20-8-6-17(13-23-20)21(22)25/h5-8,12-13,15H,3-4,9-11,14H2,1-2H3,(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	232	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