Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50009936   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50089193 (4-Fluoro-N-(1,3,3-trimethyl-bicyclo[2.2.1]hept-2-y...) Show SMILES CC1(C)[C@H]2CCC(C)(C2)[C@H]1NS(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C16H22FNO2S/c1-15(2)11-8-9-16(3,10-11)14(15)18-21(19,20)13-6-4-12(17)5-7-13/h4-7,11,14,18H,8-10H2,1-3H3/t11-,14-,16?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Curated by ChEMBL					Assay Description Inhibition of Abeta42 production by inhibiting Gamma-secretase proteolytic pathway in HEK293 cell stably transfected with a double mutant form of hum...				J Med Chem 43: 2297-9 (2000) BindingDB Entry DOI: 10.7270/Q25B01QF
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50089190 (CHEMBL450926 | Thiophene-2-sulfonic acid (1,3,3-tr...) Show SMILES CC12CC[C@@H](C1)C(C)(C)[C@@H]2NS(=O)(=O)c1cccs1 Show InChI InChI=1S/C14H21NO2S2/c1-13(2)10-6-7-14(3,9-10)12(13)15-19(16,17)11-5-4-8-18-11/h4-5,8,10,12,15H,6-7,9H2,1-3H3/t10-,12-,14?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Curated by ChEMBL					Assay Description Inhibition of Abeta42 production by inhibiting Gamma-secretase proteolytic pathway in HEK293 cell stably transfected with a double mutant form of hum...				J Med Chem 43: 2297-9 (2000) BindingDB Entry DOI: 10.7270/Q25B01QF
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50089192 (4-Fluoro-N-(1,3,3-trimethyl-bicyclo[2.2.1]hept-2-y...) Show SMILES CC1(C)C2CCC(C)(C2)C1NS(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C16H22FNO2S/c1-15(2)11-8-9-16(3,10-11)14(15)18-21(19,20)13-6-4-12(17)5-7-13/h4-7,11,14,18H,8-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Curated by ChEMBL					Assay Description Inhibition of Abeta42 production by inhibiting Gamma-secretase proteolytic pathway in HEK293 cell stably transfected with a double mutant form of hum...				J Med Chem 43: 2297-9 (2000) BindingDB Entry DOI: 10.7270/Q25B01QF
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50089189 (4-Bromo-N-(1,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl...) Show SMILES CC1(C)[C@H]2CCC(C)(C2)[C@H]1NS(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C16H22BrNO2S/c1-15(2)11-8-9-16(3,10-11)14(15)18-21(19,20)13-6-4-12(17)5-7-13/h4-7,11,14,18H,8-10H2,1-3H3/t11-,14-,16?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Curated by ChEMBL					Assay Description Inhibition of Abeta42 production by inhibiting Gamma-secretase proteolytic pathway in HEK293 cell stably transfected with a double mutant form of hum...				J Med Chem 43: 2297-9 (2000) BindingDB Entry DOI: 10.7270/Q25B01QF
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50089191 (4-Chloro-N-(1,3,3-trimethyl-bicyclo[2.2.1]hept-2-y...) Show SMILES CC1(C)[C@H]2CCC(C)(C2)[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H22ClNO2S/c1-15(2)11-8-9-16(3,10-11)14(15)18-21(19,20)13-6-4-12(17)5-7-13/h4-7,11,14,18H,8-10H2,1-3H3/t11-,14-,16?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Curated by ChEMBL					Assay Description Inhibition of Abeta42 production by inhibiting Gamma-secretase proteolytic pathway in HEK293 cell stably transfected with a double mutant form of hum...				J Med Chem 43: 2297-9 (2000) BindingDB Entry DOI: 10.7270/Q25B01QF
					More data for this Ligand-Target Pair