BDBM50088735 CHEMBL12828::{4-[((1R,3S,5S)-8-Methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-phenyl-amino]-phenyl}-pyrrolidin-1-yl-methanone

SMILES: CN1[C@H]2CC[C@@H]1C[C@H](C2)N(c1ccccc1)c1ccc(cc1)C(=O)N1CCCC1

InChI Key: InChIKey=QANVKGAEBNRIDN-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 = 50088735   

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))	BDBM50088735 (CHEMBL12828 | {4-[((1R,3S,5S)-8-Methyl-8-aza-bicyc...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)N(c1ccccc1)c1ccc(cc1)C(=O)N1CCCC1 |THB:0:1:7.6.8:4.3| Show InChI InChI=1S/C25H31N3O/c1-26-22-13-14-23(26)18-24(17-22)28(20-7-3-2-4-8-20)21-11-9-19(10-12-21)25(29)27-15-5-6-16-27/h2-4,7-12,22-24H,5-6,13-18H2,1H3/t22-,23+,24-	PDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	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))	BDBM50088735 (CHEMBL12828 | {4-[((1R,3S,5S)-8-Methyl-8-aza-bicyc...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)N(c1ccccc1)c1ccc(cc1)C(=O)N1CCCC1 |THB:0:1:7.6.8:4.3| Show InChI InChI=1S/C25H31N3O/c1-26-22-13-14-23(26)18-24(17-22)28(20-7-3-2-4-8-20)21-11-9-19(10-12-21)25(29)27-15-5-6-16-27/h2-4,7-12,22-24H,5-6,13-18H2,1H3/t22-,23+,24-	PDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+3	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