BindingDB PrimarySearch

BDBM50220296 1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-cyclopropylpiperidin-2-yl)cyclopropyl 4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carboxylate::CHEMBL393941

SMILES: CC(C)(CO)N1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=QVNUOJRVQDGJQW-XZOQPEGZSA-N

Data: 4 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50220296
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Beta amyloid A4 protein (Homo sapiens (Human))	BDBM50220296 (1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-cyclopropy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level				Bioorg Med Chem Lett 17: 5330-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.013 BindingDB Entry DOI: 10.7270/Q21G0KZB
Schering-Plough Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50220296 (1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-cyclopropy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Lab. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 after 30 mins				Bioorg Med Chem Lett 20: 6606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.09.028 BindingDB Entry DOI: 10.7270/Q2RF5V79
Merck Research Lab. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50220296 (1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-cyclopropy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP3A4 after 30 mins				Bioorg Med Chem Lett 17: 6290-4 (2007) Article DOI: 10.1016/j.bmcl.2007.09.006 BindingDB Entry DOI: 10.7270/Q2NS0TMF
Schering-Plough Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (Human))	BDBM50220296 (1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-cyclopropy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase assessed as reduction of cell Abeta40 level				Bioorg Med Chem Lett 17: 5330-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.013 BindingDB Entry DOI: 10.7270/Q21G0KZB
Schering-Plough Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair