BDBM50226262 6-(2-(2-ethylbutyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yloxy)nicotinamide::CHEMBL238156

SMILES: CCC(CC)CN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1

InChI Key: InChIKey=XCXGXHLAQVJAAR-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 = 50226262   

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))	BDBM50226262 (6-(2-(2-ethylbutyl)-2,3,4,5-tetrahydro-1H-benzo[c]...) Show SMILES CCC(CC)CN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1 Show InChI InChI=1S/C22H29N3O2/c1-3-16(4-2)14-25-11-5-6-17-12-20(9-7-19(17)15-25)27-21-10-8-18(13-24-21)22(23)26/h7-10,12-13,16H,3-6,11,14-15H2,1-2H3,(H2,23,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	42	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))	BDBM50226262 (6-(2-(2-ethylbutyl)-2,3,4,5-tetrahydro-1H-benzo[c]...) Show SMILES CCC(CC)CN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1 Show InChI InChI=1S/C22H29N3O2/c1-3-16(4-2)14-25-11-5-6-17-12-20(9-7-19(17)15-25)27-21-10-8-18(13-24-21)22(23)26/h7-10,12-13,16H,3-6,11,14-15H2,1-2H3,(H2,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	62	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))	BDBM50226262 (6-(2-(2-ethylbutyl)-2,3,4,5-tetrahydro-1H-benzo[c]...) Show SMILES CCC(CC)CN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1 Show InChI InChI=1S/C22H29N3O2/c1-3-16(4-2)14-25-11-5-6-17-12-20(9-7-19(17)15-25)27-21-10-8-18(13-24-21)22(23)26/h7-10,12-13,16H,3-6,11,14-15H2,1-2H3,(H2,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.89E+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 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