Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'alker' and Initial = 'am'   

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))	BDBM50478057 (CHEMBL256059) Show SMILES COc1ccc(CN([C@@H]2CC(F)(F)CCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1F |r| Show InChI InChI=1S/C20H19ClF4N2O4S/c1-31-16-7-2-12(17(22)18(16)23)11-27(15-10-20(24,25)8-9-26-19(15)28)32(29,30)14-5-3-13(21)4-6-14/h2-7,15H,8-11H2,1H3,(H,26,28)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50444549 (CHEMBL3099695) Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N |r| Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in renal leiomyoblastoma cells				J Med Chem 58: 8054-65 (2015) Article DOI: 10.1021/acs.jmedchem.5b00851 BindingDB Entry DOI: 10.7270/Q2K0763C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Presenilin-1 (Homo sapiens (Human))	BDBM50478077 (CHEMBL403332) Show SMILES FC1(F)CCNC(=O)[C@@H](C1)N(Cc1ccc(cc1)C(=O)NC1CC1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H24ClF2N3O4S/c24-17-5-9-19(10-6-17)34(32,33)29(20-13-23(25,26)11-12-27-22(20)31)14-15-1-3-16(4-2-15)21(30)28-18-7-8-18/h1-6,9-10,18,20H,7-8,11-14H2,(H,27,31)(H,28,30)/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478058 (CHEMBL429938) Show SMILES CC1(C)CCNC(=O)C(C1)N(Cc1ccc(cc1)C(=O)NC1CC1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H30ClN3O4S/c1-25(2)13-14-27-24(31)22(15-25)29(34(32,33)21-11-7-19(26)8-12-21)16-17-3-5-18(6-4-17)23(30)28-20-9-10-20/h3-8,11-12,20,22H,9-10,13-16H2,1-2H3,(H,27,31)(H,28,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8611 (4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...) Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in renal leiomyoblastoma cells				J Med Chem 58: 8054-65 (2015) Article DOI: 10.1021/acs.jmedchem.5b00851 BindingDB Entry DOI: 10.7270/Q2K0763C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Presenilin-1 (Homo sapiens (Human))	BDBM50478061 (CHEMBL439242) Show SMILES CC(C)C[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(Cl)cc1)C(N)=O |r| Show InChI InChI=1S/C20H23ClN2O5S/c1-13(2)9-17(20(22)24)23(29(25,26)16-6-4-15(21)5-7-16)11-14-3-8-18-19(10-14)28-12-27-18/h3-8,10,13,17H,9,11-12H2,1-2H3,(H2,22,24)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50125049 (CHEMBL3623830) Show SMILES CCC(=O)N[C@@H]1CCCc2c1cncc2-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C19H19N3O/c1-2-19(23)22-18-5-3-4-15-16(11-21-12-17(15)18)14-8-6-13(10-20)7-9-14/h6-9,11-12,18H,2-5H2,1H3,(H,22,23)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste...				J Med Chem 58: 8054-65 (2015) Article DOI: 10.1021/acs.jmedchem.5b00851 BindingDB Entry DOI: 10.7270/Q2K0763C
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM191903 (US9187429, 36 | US9187429, 37 | US9187429, 38) Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C18H18ClFN2O/c1-2-18(23)22-17-5-3-4-12-13(9-21-10-14(12)17)11-6-7-15(19)16(20)8-11/h6-10,17H,2-5H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste...				J Med Chem 58: 8054-65 (2015) Article DOI: 10.1021/acs.jmedchem.5b00851 BindingDB Entry DOI: 10.7270/Q2K0763C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Presenilin-1 (Homo sapiens (Human))	BDBM50478075 (CHEMBL271880) Show SMILES CC1(C)CCNC(=O)[C@@H](C1)N(Cc1ccc(cc1)C(=O)NC1CC1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H30ClN3O4S/c1-25(2)13-14-27-24(31)22(15-25)29(34(32,33)21-11-7-19(26)8-12-21)16-17-3-5-18(6-4-17)23(30)28-20-9-10-20/h3-8,11-12,20,22H,9-10,13-16H2,1-2H3,(H,27,31)(H,28,30)/t22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478084 (CHEMBL256388) Show SMILES FC(F)(F)C1CCNC(=O)C(C1)N(Cc1ccc(cc1)C(=O)NC1CC1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H25ClF3N3O4S/c25-18-5-9-20(10-6-18)36(34,35)31(21-13-17(24(26,27)28)11-12-29-23(21)33)14-15-1-3-16(4-2-15)22(32)30-19-7-8-19/h1-6,9-10,17,19,21H,7-8,11-14H2,(H,29,33)(H,30,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478064 (CHEMBL402950) Show SMILES COc1ccc(CN([C@@H]2CC(F)(F)CCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C20H20ClF3N2O4S/c1-30-15-5-2-13(17(22)10-15)12-26(18-11-20(23,24)8-9-25-19(18)27)31(28,29)16-6-3-14(21)4-7-16/h2-7,10,18H,8-9,11-12H2,1H3,(H,25,27)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM191882 (US9187429, 8) Show SMILES CC(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C#N Show InChI InChI=1S/C18H17N3O/c1-12(22)21-18-4-2-3-15-16(10-20-11-17(15)18)14-7-5-13(9-19)6-8-14/h5-8,10-11,18H,2-4H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste...				J Med Chem 58: 8054-65 (2015) Article DOI: 10.1021/acs.jmedchem.5b00851 BindingDB Entry DOI: 10.7270/Q2K0763C
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM191880 (US9187429, 5 | US9187429, 6 | US9187429, 7) Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C#N Show InChI InChI=1S/C19H19N3O/c1-2-19(23)22-18-5-3-4-15-16(11-21-12-17(15)18)14-8-6-13(10-20)7-9-14/h6-9,11-12,18H,2-5H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste...				J Med Chem 58: 8054-65 (2015) Article DOI: 10.1021/acs.jmedchem.5b00851 BindingDB Entry DOI: 10.7270/Q2K0763C
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM191908 (US9187429, 43) Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1cc(F)c(F)cc1F Show InChI InChI=1S/C18H17F3N2O/c1-2-18(24)23-17-5-3-4-10-12(8-22-9-13(10)17)11-6-15(20)16(21)7-14(11)19/h6-9,17H,2-5H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste...				J Med Chem 58: 8054-65 (2015) Article DOI: 10.1021/acs.jmedchem.5b00851 BindingDB Entry DOI: 10.7270/Q2K0763C
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM191899 (US9187429, 30 | US9187429, 31 | US9187429, 32) Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(Cl)cc1F Show InChI InChI=1S/C18H18ClFN2O/c1-2-18(23)22-17-5-3-4-12-14(9-21-10-15(12)17)13-7-6-11(19)8-16(13)20/h6-10,17H,2-5H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste...				J Med Chem 58: 8054-65 (2015) Article DOI: 10.1021/acs.jmedchem.5b00851 BindingDB Entry DOI: 10.7270/Q2K0763C
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478063 (CHEMBL256794) Show SMILES COc1ccc(CN([C@@H]2CC(F)(F)CCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cn1 Show InChI InChI=1S/C19H20ClF2N3O4S/c1-29-17-7-2-13(11-24-17)12-25(16-10-19(21,22)8-9-23-18(16)26)30(27,28)15-5-3-14(20)4-6-15/h2-7,11,16H,8-10,12H2,1H3,(H,23,26)/t16-/m1/s1	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
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478059 (CHEMBL256596) Show SMILES CC(C)C1CCNC(=O)C(C1)N(Cc1ccc(cc1)C(=O)NC1CC1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H32ClN3O4S/c1-17(2)20-13-14-28-26(32)24(15-20)30(35(33,34)23-11-7-21(27)8-12-23)16-18-3-5-19(6-4-18)25(31)29-22-9-10-22/h3-8,11-12,17,20,22,24H,9-10,13-16H2,1-2H3,(H,28,32)(H,29,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50125051 (CHEMBL3623821) Show SMILES N#Cc1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C12H8N2/c13-8-10-3-5-11(6-4-10)12-2-1-7-14-9-12/h1-7,9H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste...				J Med Chem 58: 8054-65 (2015) Article DOI: 10.1021/acs.jmedchem.5b00851 BindingDB Entry DOI: 10.7270/Q2K0763C
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM191876 (US9187429, 1) Show SMILES NC1CCCc2c1cncc2-c1ccc(cc1)C#N Show InChI InChI=1S/C16H15N3/c17-8-11-4-6-12(7-5-11)14-9-19-10-15-13(14)2-1-3-16(15)18/h4-7,9-10,16H,1-3,18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste...				J Med Chem 58: 8054-65 (2015) Article DOI: 10.1021/acs.jmedchem.5b00851 BindingDB Entry DOI: 10.7270/Q2K0763C
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM191909 (US9187429, 44) Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(F)c(F)c1 Show InChI InChI=1S/C18H18F2N2O/c1-2-18(23)22-17-5-3-4-12-13(9-21-10-14(12)17)11-6-7-15(19)16(20)8-11/h6-10,17H,2-5H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste...				J Med Chem 58: 8054-65 (2015) Article DOI: 10.1021/acs.jmedchem.5b00851 BindingDB Entry DOI: 10.7270/Q2K0763C
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478070 (CHEMBL403279) Show SMILES NC(=O)c1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C20H22ClN3O4S/c21-16-8-10-17(11-9-16)29(27,28)24(18-3-1-2-12-23-20(18)26)13-14-4-6-15(7-5-14)19(22)25/h4-11,18H,1-3,12-13H2,(H2,22,25)(H,23,26)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478056 (CHEMBL404576) Show SMILES COc1ccc(CN([C@@H]2CC(F)(F)CCNC2=O)S(=O)(=O)c2ccc(Cl)s2)cn1 Show InChI InChI=1S/C17H18ClF2N3O4S2/c1-27-14-4-2-11(9-22-14)10-23(29(25,26)15-5-3-13(18)28-15)12-8-17(19,20)6-7-21-16(12)24/h2-5,9,12H,6-8,10H2,1H3,(H,21,24)/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478067 (CHEMBL258345) Show SMILES CC(C)(C)C1CCNC(=O)C(C1)N(Cc1ccc(cc1)C(=O)NC1CC1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H34ClN3O4S/c1-27(2,3)20-14-15-29-26(33)24(16-20)31(36(34,35)23-12-8-21(28)9-13-23)17-18-4-6-19(7-5-18)25(32)30-22-10-11-22/h4-9,12-13,20,22,24H,10-11,14-17H2,1-3H3,(H,29,33)(H,30,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM191883 (US9187429, 9) Show SMILES CC(C)C(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C#N Show InChI InChI=1S/C20H21N3O/c1-13(2)20(24)23-19-5-3-4-16-17(11-22-12-18(16)19)15-8-6-14(10-21)7-9-15/h6-9,11-13,19H,3-5H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste...				J Med Chem 58: 8054-65 (2015) Article DOI: 10.1021/acs.jmedchem.5b00851 BindingDB Entry DOI: 10.7270/Q2K0763C
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478069 (CHEMBL3085385) Show SMILES OC(=O)CCc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C22H25ClN2O5S/c23-18-9-11-19(12-10-18)31(29,30)25(20-3-1-2-14-24-22(20)28)15-17-6-4-16(5-7-17)8-13-21(26)27/h4-7,9-12,20H,1-3,8,13-15H2,(H,24,28)(H,26,27)/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478062 (CHEMBL402021) Show SMILES COc1ccc(CN([C@@H]2CC(F)(F)CCNC2=O)S(=O)(=O)CCC(F)(F)F)cn1 Show InChI InChI=1S/C16H20F5N3O4S/c1-28-13-3-2-11(9-23-13)10-24(29(26,27)7-5-16(19,20)21)12-8-15(17,18)4-6-22-14(12)25/h2-3,9,12H,4-8,10H2,1H3,(H,22,25)/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478082 (CHEMBL404509) Show SMILES COc1ccc(CN(C2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C20H22ClFN2O4S/c1-28-16-8-5-14(18(22)12-16)13-24(19-4-2-3-11-23-20(19)25)29(26,27)17-9-6-15(21)7-10-17/h5-10,12,19H,2-4,11,13H2,1H3,(H,23,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478074 (CHEMBL257096) Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)C(=O)NC1CC1)C1CCCCNC1=O Show InChI InChI=1S/C23H26ClN3O4S/c24-18-8-12-20(13-9-18)32(30,31)27(21-3-1-2-14-25-23(21)29)15-16-4-6-17(7-5-16)22(28)26-19-10-11-19/h4-9,12-13,19,21H,1-3,10-11,14-15H2,(H,25,29)(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477683 (CHEMBL250820) Show SMILES COc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C20H22ClFN2O4S/c1-28-19-10-5-14(12-17(19)22)13-24(18-4-2-3-11-23-20(18)25)29(26,27)16-8-6-15(21)7-9-16/h5-10,12,18H,2-4,11,13H2,1H3,(H,23,25)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Mus musculus)	BDBM8611 (4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...) Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL					Assay Description Inhibition of mouse CYP11B2 expressed in renal leiomyoblastoma cells				J Med Chem 58: 8054-65 (2015) Article DOI: 10.1021/acs.jmedchem.5b00851 BindingDB Entry DOI: 10.7270/Q2K0763C
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Mus musculus)	BDBM50444549 (CHEMBL3099695) Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N |r| Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL					Assay Description Inhibition of mouse CYP11B2 expressed in renal leiomyoblastoma cells				J Med Chem 58: 8054-65 (2015) Article DOI: 10.1021/acs.jmedchem.5b00851 BindingDB Entry DOI: 10.7270/Q2K0763C
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478080 (CHEMBL401823) Show SMILES COc1ccc(CN(C2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C20H22ClFN2O4S/c1-28-19-10-5-14(12-17(19)22)13-24(18-4-2-3-11-23-20(18)25)29(26,27)16-8-6-15(21)7-9-16/h5-10,12,18H,2-4,11,13H2,1H3,(H,23,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478065 (CHEMBL3085386) Show SMILES FC1(F)CC[C@@H](N(Cc2ccc(cc2)C(=O)NC2CC2)S(=O)(=O)c2ccc(Cl)cc2)C(=O)NC1 |r| Show InChI InChI=1S/C23H24ClF2N3O4S/c24-17-5-9-19(10-6-17)34(32,33)29(20-11-12-23(25,26)14-27-22(20)31)13-15-1-3-16(4-2-15)21(30)28-18-7-8-18/h1-6,9-10,18,20H,7-8,11-14H2,(H,27,31)(H,28,30)/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478071 (CHEMBL256852) Show SMILES COc1ccc(CN(C2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C20H23ClN2O4S/c1-27-17-9-5-15(6-10-17)14-23(19-4-2-3-13-22-20(19)24)28(25,26)18-11-7-16(21)8-12-18/h5-12,19H,2-4,13-14H2,1H3,(H,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478066 (CHEMBL256387) Show SMILES CC1(C)CCCNC(=O)C1N(Cc1ccc(cc1)C(=O)NC1CC1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H30ClN3O4S/c1-25(2)14-3-15-27-24(31)22(25)29(34(32,33)21-12-8-19(26)9-13-21)16-17-4-6-18(7-5-17)23(30)28-20-10-11-20/h4-9,12-13,20,22H,3,10-11,14-16H2,1-2H3,(H,27,31)(H,28,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478072 (CHEMBL256854) Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)C1CCCCNC1=O Show InChI InChI=1S/C20H21ClN2O5S/c21-15-5-7-16(8-6-15)29(25,26)23(17-3-1-2-10-22-20(17)24)12-14-4-9-18-19(11-14)28-13-27-18/h4-9,11,17H,1-3,10,12-13H2,(H,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Mus musculus)	BDBM50125049 (CHEMBL3623830) Show SMILES CCC(=O)N[C@@H]1CCCc2c1cncc2-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C19H19N3O/c1-2-19(23)22-18-5-3-4-15-16(11-21-12-17(15)18)14-8-6-13(10-20)7-9-14/h6-9,11-12,18H,2-5H2,1H3,(H,22,23)/t18-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL					Assay Description Inhibition of mouse CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste...				J Med Chem 58: 8054-65 (2015) Article DOI: 10.1021/acs.jmedchem.5b00851 BindingDB Entry DOI: 10.7270/Q2K0763C
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478068 (CHEMBL402247) Show SMILES COc1ccc(CN(C2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cn1 Show InChI InChI=1S/C19H22ClN3O4S/c1-27-18-10-5-14(12-22-18)13-23(17-4-2-3-11-21-19(17)24)28(25,26)16-8-6-15(20)7-9-16/h5-10,12,17H,2-4,11,13H2,1H3,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50125050 (CHEMBL3623831) Show SMILES CCC(=O)N[C@H]1CCCc2c1cncc2-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C19H19N3O/c1-2-19(23)22-18-5-3-4-15-16(11-21-12-17(15)18)14-8-6-13(10-20)7-9-14/h6-9,11-12,18H,2-5H2,1H3,(H,22,23)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	942	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste...				J Med Chem 58: 8054-65 (2015) Article DOI: 10.1021/acs.jmedchem.5b00851 BindingDB Entry DOI: 10.7270/Q2K0763C
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478079 (CHEMBL270381) Show SMILES CN(C)C(=O)c1ccc(CN(C2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C22H26ClN3O4S/c1-25(2)22(28)17-8-6-16(7-9-17)15-26(20-5-3-4-14-24-21(20)27)31(29,30)19-12-10-18(23)11-13-19/h6-13,20H,3-5,14-15H2,1-2H3,(H,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478055 (CHEMBL256610) Show SMILES CC(C)C[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NO Show InChI InChI=1S/C20H23ClN2O6S/c1-13(2)9-17(20(24)22-25)23(30(26,27)16-6-4-15(21)5-7-16)11-14-3-8-18-19(10-14)29-12-28-18/h3-8,10,13,17,25H,9,11-12H2,1-2H3,(H,22,24)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478083 (CHEMBL270379) Show SMILES CC1(C)CCC(N(Cc2ccc(cc2)C(=O)NC2CC2)S(=O)(=O)c2ccc(Cl)cc2)C(=O)NC1 Show InChI InChI=1S/C25H30ClN3O4S/c1-25(2)14-13-22(24(31)27-16-25)29(34(32,33)21-11-7-19(26)8-12-21)15-17-3-5-18(6-4-17)23(30)28-20-9-10-20/h3-8,11-12,20,22H,9-10,13-16H2,1-2H3,(H,27,31)(H,28,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478060 (CHEMBL401980) Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)C1CCCCCNC1=O Show InChI InChI=1S/C21H23ClN2O5S/c22-16-6-8-17(9-7-16)30(26,27)24(18-4-2-1-3-11-23-21(18)25)13-15-5-10-19-20(12-15)29-14-28-19/h5-10,12,18H,1-4,11,13-14H2,(H,23,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Mus musculus)	BDBM50125050 (CHEMBL3623831) Show SMILES CCC(=O)N[C@H]1CCCc2c1cncc2-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C19H19N3O/c1-2-19(23)22-18-5-3-4-15-16(11-21-12-17(15)18)14-8-6-13(10-20)7-9-14/h6-9,11-12,18H,2-5H2,1H3,(H,22,23)/t18-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL					Assay Description Inhibition of mouse CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste...				J Med Chem 58: 8054-65 (2015) Article DOI: 10.1021/acs.jmedchem.5b00851 BindingDB Entry DOI: 10.7270/Q2K0763C
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478081 (CHEMBL272129) Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)C1CCCNC1=O Show InChI InChI=1S/C19H19ClN2O5S/c20-14-4-6-15(7-5-14)28(24,25)22(16-2-1-9-21-19(16)23)11-13-3-8-17-18(10-13)27-12-26-17/h3-8,10,16H,1-2,9,11-12H2,(H,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478076 (CHEMBL271912) Show SMILES COc1ccc(CN([C@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C20H22ClFN2O4S/c1-28-19-10-5-14(12-17(19)22)13-24(18-4-2-3-11-23-20(18)25)29(26,27)16-8-6-15(21)7-9-16/h5-10,12,18H,2-4,11,13H2,1H3,(H,23,25)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50125050 (CHEMBL3623831) Show SMILES CCC(=O)N[C@H]1CCCc2c1cncc2-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C19H19N3O/c1-2-19(23)22-18-5-3-4-15-16(11-21-12-17(15)18)14-8-6-13(10-20)7-9-14/h6-9,11-12,18H,2-5H2,1H3,(H,22,23)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 58: 8054-65 (2015) Article DOI: 10.1021/acs.jmedchem.5b00851 BindingDB Entry DOI: 10.7270/Q2K0763C
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50125050 (CHEMBL3623831) Show SMILES CCC(=O)N[C@H]1CCCc2c1cncc2-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C19H19N3O/c1-2-19(23)22-18-5-3-4-15-16(11-21-12-17(15)18)14-8-6-13(10-20)7-9-14/h6-9,11-12,18H,2-5H2,1H3,(H,22,23)/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 58: 8054-65 (2015) Article DOI: 10.1021/acs.jmedchem.5b00851 BindingDB Entry DOI: 10.7270/Q2K0763C
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478078 (CHEMBL272928) Show SMILES CC1(C)CCCC(N(Cc2ccc(cc2)C(=O)NC2CC2)S(=O)(=O)c2ccc(Cl)cc2)C(=O)N1 Show InChI InChI=1S/C25H30ClN3O4S/c1-25(2)15-3-4-22(24(31)28-25)29(34(32,33)21-13-9-19(26)10-14-21)16-17-5-7-18(8-6-17)23(30)27-20-11-12-20/h5-10,13-14,20,22H,3-4,11-12,15-16H2,1-2H3,(H,27,30)(H,28,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478073 (CHEMBL403540) Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)C1CCNC1=O Show InChI InChI=1S/C18H17ClN2O5S/c19-13-2-4-14(5-3-13)27(23,24)21(15-7-8-20-18(15)22)10-12-1-6-16-17(9-12)26-11-25-16/h1-6,9,15H,7-8,10-11H2,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 18: 304-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.074 BindingDB Entry DOI: 10.7270/Q2J105X3
					More data for this Ligand-Target Pair

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