BDBM50088723 CHEMBL13414::N-Ethyl-N-methyl-4-[((1R,3S,5S)-8-phenethyl-8-aza-bicyclo[3.2.1]oct-3-yl)-phenyl-amino]-benzamide

SMILES: CCN(C)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1

InChI Key: InChIKey=VNHWYELPPSOQGL-RLPLKTQASA-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 = 50088723   

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))	BDBM50088723 (CHEMBL13414 | N-Ethyl-N-methyl-4-[((1R,3S,5S)-8-ph...) Show SMILES CCN(C)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1 |THB:21:20:13.19.14:16.17| Show InChI InChI=1S/C31H37N3O/c1-3-32(2)31(35)25-14-16-27(17-15-25)34(26-12-8-5-9-13-26)30-22-28-18-19-29(23-30)33(28)21-20-24-10-6-4-7-11-24/h4-17,28-30H,3,18-23H2,1-2H3/t28-,29+,30-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	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))	BDBM50088723 (CHEMBL13414 | N-Ethyl-N-methyl-4-[((1R,3S,5S)-8-ph...) Show SMILES CCN(C)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1 |THB:21:20:13.19.14:16.17| Show InChI InChI=1S/C31H37N3O/c1-3-32(2)31(35)25-14-16-27(17-15-25)34(26-12-8-5-9-13-26)30-22-28-18-19-29(23-30)33(28)21-20-24-10-6-4-7-11-24/h4-17,28-30H,3,18-23H2,1-2H3/t28-,29+,30-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	113	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