BDBM50452622 CHEMBL2093981

SMILES: Cl.CN([C@@H]1CCCC[C@H]1N1CCC[C@H]1CO)C(=O)Cc1cccc2sccc12

InChI Key: InChIKey=LPDZLWYIKKSTKH-OCIYDRMTSA-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 = 50452622   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50452622 (CHEMBL2093981) Show SMILES Cl.CN([C@@H]1CCCC[C@H]1N1CCC[C@H]1CO)C(=O)Cc1cccc2sccc12 |r| Show InChI InChI=1S/C22H30N2O2S.ClH/c1-23(22(26)14-16-6-4-10-21-18(16)11-13-27-21)19-8-2-3-9-20(19)24-12-5-7-17(24)15-25;/h4,6,10-11,13,17,19-20,25H,2-3,5,7-9,12,14-15H2,1H3;1H/t17-,19+,20+;/m0./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Research Unit Curated by ChEMBL					Assay Description Binding affinity towards opioid receptor mu was determined				J Med Chem 32: 1620-6 (1989) BindingDB Entry DOI: 10.7270/Q2GH9JJB
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50452622 (CHEMBL2093981) Show SMILES Cl.CN([C@@H]1CCCC[C@H]1N1CCC[C@H]1CO)C(=O)Cc1cccc2sccc12 |r| Show InChI InChI=1S/C22H30N2O2S.ClH/c1-23(22(26)14-16-6-4-10-21-18(16)11-13-27-21)19-8-2-3-9-20(19)24-12-5-7-17(24)15-25;/h4,6,10-11,13,17,19-20,25H,2-3,5,7-9,12,14-15H2,1H3;1H/t17-,19+,20+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Research Unit Curated by ChEMBL					Assay Description Binding affinity towards opioid receptor kappa was determined				J Med Chem 32: 1620-6 (1989) BindingDB Entry DOI: 10.7270/Q2GH9JJB
					More data for this Ligand-Target Pair