BDBM50088710 CHEMBL268981::N,N-Diethyl-4-[((1R,3S,5S)-8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-(3-methylsulfanyl-phenyl)-amino]-benzamide

SMILES: CCN(CC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C)c1cccc(SC)c1

InChI Key: InChIKey=CWIAMQSDCTXANC-ACHVPNTGSA-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 = 50088710   

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))	BDBM50088710 (CHEMBL268981 | N,N-Diethyl-4-[((1R,3S,5S)-8-methyl...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C)c1cccc(SC)c1 |THB:22:21:14.20.15:18.17| Show InChI InChI=1S/C26H35N3OS/c1-5-28(6-2)26(30)19-10-12-20(13-11-19)29(23-8-7-9-25(18-23)31-4)24-16-21-14-15-22(17-24)27(21)3/h7-13,18,21-22,24H,5-6,14-17H2,1-4H3/t21-,22+,24-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	9	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))	BDBM50088710 (CHEMBL268981 | N,N-Diethyl-4-[((1R,3S,5S)-8-methyl...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C)c1cccc(SC)c1 |THB:22:21:14.20.15:18.17| Show InChI InChI=1S/C26H35N3OS/c1-5-28(6-2)26(30)19-10-12-20(13-11-19)29(23-8-7-9-25(18-23)31-4)24-16-21-14-15-22(17-24)27(21)3/h7-13,18,21-22,24H,5-6,14-17H2,1-4H3/t21-,22+,24-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.77E+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