BDBM50088752 4-[((1S,3S,5R)-8-Cyano-8-aza-bicyclo[3.2.1]oct-3-yl)-phenyl-amino]-N,N-diethyl-benzamide::CHEMBL13725

SMILES: CCN(CC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C#N)c1ccccc1

InChI Key: InChIKey=KZLPCMNZZDEWIQ-BKFWDETESA-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 = 50088752   

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))	BDBM50088752 (4-[((1S,3S,5R)-8-Cyano-8-aza-bicyclo[3.2.1]oct-3-y...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C#N)c1ccccc1 |THB:22:21:14.15.20:18.17| Show InChI InChI=1S/C25H30N4O/c1-3-27(4-2)25(30)19-10-12-21(13-11-19)29(20-8-6-5-7-9-20)24-16-22-14-15-23(17-24)28(22)18-26/h5-13,22-24H,3-4,14-17H2,1-2H3/t22-,23+,24-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	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))	BDBM50088752 (4-[((1S,3S,5R)-8-Cyano-8-aza-bicyclo[3.2.1]oct-3-y...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C#N)c1ccccc1 |THB:22:21:14.15.20:18.17| Show InChI InChI=1S/C25H30N4O/c1-3-27(4-2)25(30)19-10-12-21(13-11-19)29(20-8-6-5-7-9-20)24-16-22-14-15-23(17-24)28(22)18-26/h5-13,22-24H,3-4,14-17H2,1-2H3/t22-,23+,24-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	817	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