Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50011500   

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
Presenilin-1 (Homo sapiens (Human))	BDBM50548053 (CHEMBL3814503) Show SMILES COc1cc(ccc1-c1cnc(C)o1)-c1nnc2n1CCC[C@]2(Oc1cc(F)c(F)c(F)c1)C(C)(C)O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Modulation of gamma-secretase (unknown origin) assessed as reduction in amyloid beta42 level				Citation and Details Article DOI: 10.1039/d0md00196a BindingDB Entry DOI: 10.7270/Q2V69P6T
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50548055 (CHEMBL3814200) Show SMILES COc1cc(ccc1-c1cnc(C)o1)-c1nnc2n1CCCC21OCc2c(Cl)cccc2N(CC(F)(F)F)C1=O Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Modulation of gamma-secretase (unknown origin) assessed as reduction in amyloid beta42 level				Citation and Details Article DOI: 10.1039/d0md00196a BindingDB Entry DOI: 10.7270/Q2V69P6T
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50548054 (CHEMBL3813841) Show SMILES COc1cc(ccc1-c1cnc(C)o1)-c1nnc2n1CCCC21OCc2c(cccc2C(F)(F)F)N(CC(F)(F)F)C1=O Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Modulation of gamma-secretase (unknown origin) assessed as reduction in amyloid beta42 level				Citation and Details Article DOI: 10.1039/d0md00196a BindingDB Entry DOI: 10.7270/Q2V69P6T
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50548056 (CHEMBL3814348) Show SMILES COc1cc(ccc1-c1cnc(C)o1)-c1nnc2n1CCCC2(Oc1ccc(F)c(Cl)c1)C(C)(C)O Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Modulation of gamma-secretase (unknown origin) assessed as reduction in amyloid beta42 level				Citation and Details Article DOI: 10.1039/d0md00196a BindingDB Entry DOI: 10.7270/Q2V69P6T
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50391758 (CHEMBL2146750) Show SMILES C[C@@H](C(O)=O)c1ccc([C@H](N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C29H29F4NO2/c1-18-13-15-34(16-14-18)27(21-5-10-24(30)11-6-21)25-12-7-22(19(2)28(35)36)17-26(25)20-3-8-23(9-4-20)29(31,32)33/h3-12,17-19,27H,13-16H2,1-2H3,(H,35,36)/t19-,27-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Modulation of gamma-secretase in human H4 cells expressing human wild type APP751 assessed as reduction in amyloid beta42 level incubated for 17 hrs ...				Citation and Details Article DOI: 10.1039/d0md00196a BindingDB Entry DOI: 10.7270/Q2V69P6T
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50114789 (CHEMBL3609747) Show SMILES OC(=O)[C@H](CC1CCC1)c1cc(Cl)c(OCC(F)(F)F)c(c1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF6O3/c23-18-10-14(17(20(30)31)8-12-2-1-3-12)9-16(19(18)32-11-21(24,25)26)13-4-6-15(7-5-13)22(27,28)29/h4-7,9-10,12,17H,1-3,8,11H2,(H,30,31)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Modulation of gamma-secretase in human H4 cells expressing human wild type APP751 assessed as reduction in amyloid beta42 level incubated for 16 to 1...				Citation and Details Article DOI: 10.1039/d0md00196a BindingDB Entry DOI: 10.7270/Q2V69P6T
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50548057 (CHEMBL3815135) Show SMILES COc1cc(ccc1-c1cnc(C)o1)-c1nnc2n1CCCC2(Cc1ccc(F)c(F)c1)C(=O)NCC(F)(F)F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Modulation of gamma-secretase (unknown origin) assessed as reduction in amyloid beta42 level				Citation and Details Article DOI: 10.1039/d0md00196a BindingDB Entry DOI: 10.7270/Q2V69P6T
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50548059 (CHEMBL4741378) Show SMILES Cc1nsc(n1)N1CCC(Nc2nc3c(cccn3n2)-c2ccc(F)c(F)c2F)C(F)(F)C1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Modulation of gamma-secretase in human H4 cells expressing human APP assessed as reduction in amyloid beta42 level incubated for 22 hrs				Citation and Details Article DOI: 10.1039/d0md00196a BindingDB Entry DOI: 10.7270/Q2V69P6T
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50548058 (CHEMBL3618213) Show SMILES COc1cc(ccc1-c1cnc(C)o1)-c1nnc2C(CCCn12)c1ccc(Cl)c(Cl)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Modulation of gamma-secretase (unknown origin) assessed as reduction in amyloid beta42 level				Citation and Details Article DOI: 10.1039/d0md00196a BindingDB Entry DOI: 10.7270/Q2V69P6T
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50272757 (CHEMBL4129535) Show SMILES Cc1cc(F)ccc1-c1cccn2nc(NC3CCc4c(C3)cnn4C)nc12 Show InChI InChI=1S/C21H21FN6/c1-13-10-15(22)5-7-17(13)18-4-3-9-28-20(18)25-21(26-28)24-16-6-8-19-14(11-16)12-23-27(19)2/h3-5,7,9-10,12,16H,6,8,11H2,1-2H3,(H,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Modulation of gamma-secretase in human H4 cells expressing human APP assessed as reduction in amyloid beta42 level incubated for 22 hrs				Citation and Details Article DOI: 10.1039/d0md00196a BindingDB Entry DOI: 10.7270/Q2V69P6T
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50272758 (CHEMBL4127467) Show SMILES Cc1cc(F)ccc1-c1cccn2nc(Nc3ccc4n(C)ncc4c3)nc12 Show InChI InChI=1S/C21H17FN6/c1-13-10-15(22)5-7-17(13)18-4-3-9-28-20(18)25-21(26-28)24-16-6-8-19-14(11-16)12-23-27(19)2/h3-12H,1-2H3,(H,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Modulation of gamma-secretase in human H4 cells expressing human APP assessed as reduction in amyloid beta42 level incubated for 22 hrs				Citation and Details Article DOI: 10.1039/d0md00196a BindingDB Entry DOI: 10.7270/Q2V69P6T
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50548052 (CHEMBL3814568) Show SMILES COc1cc(ccc1-c1cnc(C)o1)-c1nnc2n1CCC[C@@]2(Oc1cc(F)c(F)c(F)c1)C(C)(C)O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Modulation of gamma-secretase (unknown origin) assessed as reduction in amyloid beta42 level				Citation and Details Article DOI: 10.1039/d0md00196a BindingDB Entry DOI: 10.7270/Q2V69P6T
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50391758 (CHEMBL2146750) Show SMILES C[C@@H](C(O)=O)c1ccc([C@H](N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C29H29F4NO2/c1-18-13-15-34(16-14-18)27(21-5-10-24(30)11-6-21)25-12-7-22(19(2)28(35)36)17-26(25)20-3-8-23(9-4-20)29(31,32)33/h3-12,17-19,27H,13-16H2,1-2H3,(H,35,36)/t19-,27-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	146	n/a	n/a	n/a	n/a
TBA					Assay Description Modulation of gamma-secretase in human H4 cells expressing human wild type APP751 assessed as increase in amyloid beta38 level incubated for 17 hrs b...				Citation and Details Article DOI: 10.1039/d0md00196a BindingDB Entry DOI: 10.7270/Q2V69P6T
					More data for this Ligand-Target Pair