BDBM50088724 CHEMBL275011::N,N-Diethyl-4-{[(1R,3R,5S)-8-(3-methyl-but-2-enyl)-8-aza-bicyclo[3.2.1]oct-3-yl]-phenyl-amino}-benzamide

SMILES: [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#7](-[#6@@H]-1-[#6]-[#6@@H]-2-[#6]-[#6]-[#6@H](-[#6]-1)-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccccc1

InChI Key: InChIKey=JHKOVBODNPUIOK-KUMHGWDASA-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 = 50088724   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50088724 (CHEMBL275011 | N,N-Diethyl-4-{[(1R,3R,5S)-8-(3-met...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#7](-[#6@@H]-1-[#6]-[#6@@H]-2-[#6]-[#6]-[#6@H](-[#6]-1)-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccccc1 |THB:22:21:14.20.15:17.18| Show InChI InChI=1S/C29H39N3O/c1-5-30(6-2)29(33)23-12-14-25(15-13-23)32(24-10-8-7-9-11-24)28-20-26-16-17-27(21-28)31(26)19-18-22(3)4/h7-15,18,26-28H,5-6,16-17,19-21H2,1-4H3/t26-,27+,28+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DPDPE radioligand binding to rat opioid receptor delta 1 site from rat brain membranes				Bioorg Med Chem Lett 10: 1109-11 (2000) BindingDB Entry DOI: 10.7270/Q2X0668B
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50088724 (CHEMBL275011 | N,N-Diethyl-4-{[(1R,3R,5S)-8-(3-met...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#7](-[#6@@H]-1-[#6]-[#6@@H]-2-[#6]-[#6]-[#6@H](-[#6]-1)-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccccc1 |THB:22:21:14.20.15:17.18| Show InChI InChI=1S/C29H39N3O/c1-5-30(6-2)29(33)23-12-14-25(15-13-23)32(24-10-8-7-9-11-24)28-20-26-16-17-27(21-28)31(26)19-18-22(3)4/h7-15,18,26-28H,5-6,16-17,19-21H2,1-4H3/t26-,27+,28+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound was determined by inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 from rat brain membranes				Bioorg Med Chem Lett 10: 1109-11 (2000) BindingDB Entry DOI: 10.7270/Q2X0668B
					More data for this Ligand-Target Pair