BDBM50088741 CHEMBL273404::N,N-Diethyl-4-({(1R,3R,5S)-8-[2-(4-fluoro-phenyl)-ethyl]-8-aza-bicyclo[3.2.1]oct-3-yl}-phenyl-amino)-benzamide

SMILES: CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccc(F)cc1)c1ccccc1

InChI Key: InChIKey=FUKIDEYBKKSYRM-YHTXFFTCSA-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 = 50088741   

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))	BDBM50088741 (CHEMBL273404 | N,N-Diethyl-4-({(1R,3R,5S)-8-[2-(4-...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccc(F)cc1)c1ccccc1 |THB:22:21:14.20.15:18.17| Show InChI InChI=1S/C32H38FN3O/c1-3-34(4-2)32(37)25-12-16-28(17-13-25)36(27-8-6-5-7-9-27)31-22-29-18-19-30(23-31)35(29)21-20-24-10-14-26(33)15-11-24/h5-17,29-31H,3-4,18-23H2,1-2H3/t29-,30+,31+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	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))	BDBM50088741 (CHEMBL273404 | N,N-Diethyl-4-({(1R,3R,5S)-8-[2-(4-...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccc(F)cc1)c1ccccc1 |THB:22:21:14.20.15:18.17| Show InChI InChI=1S/C32H38FN3O/c1-3-34(4-2)32(37)25-12-16-28(17-13-25)36(27-8-6-5-7-9-27)31-22-29-18-19-30(23-31)35(29)21-20-24-10-14-26(33)15-11-24/h5-17,29-31H,3-4,18-23H2,1-2H3/t29-,30+,31+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	311	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