BDBM50144274 4-[[8-(2-Chloro-benzyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-(4-methoxy-phenyl)-methyl]-N-ethyl-benzamide::CHEMBL279638

SMILES: [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccccc1Cl)\c1ccc(-[#8]-[#6])cc1

InChI Key: InChIKey=JAJSMFLIMIJRDG-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50144274   

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))	BDBM50144274 (4-[[8-(2-Chloro-benzyl)-8-aza-bicyclo[3.2.1]oct-3-...) Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccccc1Cl)\c1ccc(-[#8]-[#6])cc1 Show InChI InChI=1S/C31H33ClN2O2/c1-3-33-31(35)23-10-8-21(9-11-23)30(22-12-16-28(36-2)17-13-22)25-18-26-14-15-27(19-25)34(26)20-24-6-4-5-7-29(24)32/h4-13,16-17,26-27H,3,14-15,18-20H2,1-2H3,(H,33,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description In vitro binding affinity towards opioid receptor delta 1				Bioorg Med Chem Lett 14: 2113-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.052 BindingDB Entry DOI: 10.7270/Q21J997Q
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50144274 (4-[[8-(2-Chloro-benzyl)-8-aza-bicyclo[3.2.1]oct-3-...) Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccccc1Cl)\c1ccc(-[#8]-[#6])cc1 Show InChI InChI=1S/C31H33ClN2O2/c1-3-33-31(35)23-10-8-21(9-11-23)30(22-12-16-28(36-2)17-13-22)25-18-26-14-15-27(19-25)34(26)20-24-6-4-5-7-29(24)32/h4-13,16-17,26-27H,3,14-15,18-20H2,1-2H3,(H,33,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description In vitro binding affinity towards opioid receptor mu 1				Bioorg Med Chem Lett 14: 2113-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.052 BindingDB Entry DOI: 10.7270/Q21J997Q
					More data for this Ligand-Target Pair