BDBM50350966 CHEMBL1818227

SMILES: CC(C)CNCc1ccc(cc1)-c1cnccc1S(=O)(=O)N1CCCC1

InChI Key: InChIKey=RJYXTTZYNRWGOJ-UHFFFAOYSA-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 = 50350966   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50350966 (CHEMBL1818227) Show SMILES CC(C)CNCc1ccc(cc1)-c1cnccc1S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C20H27N3O2S/c1-16(2)13-22-14-17-5-7-18(8-6-17)19-15-21-10-9-20(19)26(24,25)23-11-3-4-12-23/h5-10,15-16,22H,3-4,11-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	584	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting				J Med Chem 54: 5868-77 (2011) Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50350966 (CHEMBL1818227) Show SMILES CC(C)CNCc1ccc(cc1)-c1cnccc1S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C20H27N3O2S/c1-16(2)13-22-14-17-5-7-18(8-6-17)19-15-21-10-9-20(19)26(24,25)23-11-3-4-12-23/h5-10,15-16,22H,3-4,11-14H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting				J Med Chem 54: 5868-77 (2011) Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ
					More data for this Ligand-Target Pair