BDBM50088719 4-[((1R,3R,5S)-8-Cyclohexylmethyl-8-aza-bicyclo[3.2.1]oct-3-yl)-phenyl-amino]-N,N-diethyl-benzamide::CHEMBL13301

SMILES: CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1C[C@@H]2CC[C@H](C1)N2CC1CCCCC1)c1ccccc1

InChI Key: InChIKey=CLHUMNXNVGHXAV-BKHFGAQXSA-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 = 50088719   

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))	BDBM50088719 (4-[((1R,3R,5S)-8-Cyclohexylmethyl-8-aza-bicyclo[3....) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1C[C@@H]2CC[C@H](C1)N2CC1CCCCC1)c1ccccc1 |THB:22:21:14.20.15:18.17| Show InChI InChI=1S/C31H43N3O/c1-3-32(4-2)31(35)25-15-17-27(18-16-25)34(26-13-9-6-10-14-26)30-21-28-19-20-29(22-30)33(28)23-24-11-7-5-8-12-24/h6,9-10,13-18,24,28-30H,3-5,7-8,11-12,19-23H2,1-2H3/t28-,29+,30+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	77	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))	BDBM50088719 (4-[((1R,3R,5S)-8-Cyclohexylmethyl-8-aza-bicyclo[3....) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1C[C@@H]2CC[C@H](C1)N2CC1CCCCC1)c1ccccc1 |THB:22:21:14.20.15:18.17| Show InChI InChI=1S/C31H43N3O/c1-3-32(4-2)31(35)25-15-17-27(18-16-25)34(26-13-9-6-10-14-26)30-21-28-19-20-29(22-30)33(28)23-24-11-7-5-8-12-24/h6,9-10,13-18,24,28-30H,3-5,7-8,11-12,19-23H2,1-2H3/t28-,29+,30+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	371	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