BDBM50155067 3-[(4-Ethylcarbamoyl-phenyl)-(8-furan-3-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-5-nitro-benzoic acid::CHEMBL186549

SMILES: [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cc(cc(c1)-[#7+](-[#8-])=O)-[#6](-[#8])=O

InChI Key: InChIKey=YHWLBBANJNPHID-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50155067   

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 (MOUSE)	BDBM50155067 (3-[(4-Ethylcarbamoyl-phenyl)-(8-furan-3-ylmethyl-8...) Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cc(cc(c1)-[#7+](-[#8-])=O)-[#6](-[#8])=O Show InChI InChI=1S/C29H29N3O6/c1-2-30-28(33)20-5-3-19(4-6-20)27(21-11-23(29(34)35)15-26(14-21)32(36)37)22-12-24-7-8-25(13-22)31(24)16-18-9-10-38-17-18/h3-6,9-11,14-15,17,24-25H,2,7-8,12-13,16H2,1H3,(H,30,33)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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 Binding affinity against mu opioid receptor in mouse hot plate test				Bioorg Med Chem Lett 14: 5493-8 (2004) Article DOI: 10.1016/j.bmcl.2004.09.004 BindingDB Entry DOI: 10.7270/Q2X34WZV
					More data for this Ligand-Target Pair