BDBM50350973 CHEMBL1818337

SMILES: CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCOC[C@H]1C

InChI Key: InChIKey=VAAVZLJWXZUIAH-GOSISDBHSA-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 = 50350973   

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))	BDBM50350973 (CHEMBL1818337) Show SMILES CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCOC[C@H]1C |r| Show InChI InChI=1S/C22H30N2O3S/c1-17(2)14-23-15-19-8-10-20(11-9-19)21-6-4-5-7-22(21)28(25,26)24-12-13-27-16-18(24)3/h4-11,17-18,23H,12-16H2,1-3H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	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))	BDBM50350973 (CHEMBL1818337) Show SMILES CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCOC[C@H]1C |r| Show InChI InChI=1S/C22H30N2O3S/c1-17(2)14-23-15-19-8-10-20(11-9-19)21-6-4-5-7-22(21)28(25,26)24-12-13-27-16-18(24)3/h4-11,17-18,23H,12-16H2,1-3H3/t18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	198	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