BDBM50088720 CHEMBL13616::N-Ethyl-N-(2-methyl-allyl)-4-[((1R,3S,5S)-8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-phenyl-amino]-benzamide

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

InChI Key: InChIKey=IBOBKBPWIZGXBP-OOSCYNTBSA-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 = 50088720   

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))	BDBM50088720 (CHEMBL13616 | N-Ethyl-N-(2-methyl-allyl)-4-[((1R,3...) Show SMILES CCN(CC(C)=C)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 |THB:24:23:16.22.17:20.19| Show InChI InChI=1S/C27H35N3O/c1-5-29(19-20(2)3)27(31)21-11-13-23(14-12-21)30(22-9-7-6-8-10-22)26-17-24-15-16-25(18-26)28(24)4/h6-14,24-26H,2,5,15-19H2,1,3-4H3/t24-,25+,26-	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))	BDBM50088720 (CHEMBL13616 | N-Ethyl-N-(2-methyl-allyl)-4-[((1R,3...) Show SMILES CCN(CC(C)=C)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 |THB:24:23:16.22.17:20.19| Show InChI InChI=1S/C27H35N3O/c1-5-29(19-20(2)3)27(31)21-11-13-23(14-12-21)30(22-9-7-6-8-10-22)26-17-24-15-16-25(18-26)28(24)4/h6-14,24-26H,2,5,15-19H2,1,3-4H3/t24-,25+,26-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.53E+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