Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'nguyen' and Initial = 'pd'   

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
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) Show SMILES C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes assessed as bupropion 4-hydroxylation after 15 mins by Dixon plot analysis				Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) Show SMILES C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes assessed as efavirenz 8-hydroxylation after 10 mins by Dixon plot analysis				Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) Show SMILES C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes assessed as tolbutamide 4-methylhydroxylation after 60 mins by Dixon plot analysis				Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) Show SMILES C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes assessed as S-mephenytoin 4'-hydroxylation after 60 mins by Dixon plot analysis				Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533513 (CHEMBL4438252) Show SMILES CCn1nc2CCCc2c1Nc1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1 Show InChI InChI=1S/C21H21FN6S/c1-3-28-20(15-5-4-6-17(15)26-28)25-21-24-18(11-29-21)14-7-8-19(16(22)9-14)27-10-13(2)23-12-27/h7-12H,3-6H2,1-2H3,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533516 (CHEMBL4464661) Show SMILES CCn1nc2c(C(C)CC2(C)C)c1Nc1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1 Show InChI InChI=1S/C24H27FN6S/c1-6-31-22(20-14(2)10-24(4,5)21(20)29-31)28-23-27-18(12-32-23)16-7-8-19(17(25)9-16)30-11-15(3)26-13-30/h7-9,11-14H,6,10H2,1-5H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533522 (CHEMBL4468920) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2c3CCCCc3nn2CC(C)(C)O)n1 Show InChI InChI=1S/C24H27FN6OS/c1-15-11-30(14-26-15)21-9-8-16(10-18(21)25)20-12-33-23(27-20)28-22-17-6-4-5-7-19(17)29-31(22)13-24(2,3)32/h8-12,14,32H,4-7,13H2,1-3H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533495 (CHEMBL4542476) Show SMILES CCn1nc2c(CCC2(C)C)c1Nc1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1 Show InChI InChI=1S/C23H25FN6S/c1-5-30-21(16-8-9-23(3,4)20(16)28-30)27-22-26-18(12-31-22)15-6-7-19(17(24)10-15)29-11-14(2)25-13-29/h6-7,10-13H,5,8-9H2,1-4H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533496 (CHEMBL4438330) Show SMILES CCn1nc(cc1Nc1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1)C(C)(C)C Show InChI InChI=1S/C22H25FN6S/c1-6-29-20(10-19(27-29)22(3,4)5)26-21-25-17(12-30-21)15-7-8-18(16(23)9-15)28-11-14(2)24-13-28/h7-13H,6H2,1-5H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533525 (CHEMBL4551156) Show SMILES CC(C)n1nc2CCCc2c1Nc1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1 Show InChI InChI=1S/C22H23FN6S/c1-13(2)29-21(16-5-4-6-18(16)27-29)26-22-25-19(11-30-22)15-7-8-20(17(23)9-15)28-10-14(3)24-12-28/h7-13H,4-6H2,1-3H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533510 (CHEMBL4539358) Show SMILES CCn1nc(cc1Nc1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1)C1(C)CC1 Show InChI InChI=1S/C22H23FN6S/c1-4-29-20(10-19(27-29)22(3)7-8-22)26-21-25-17(12-30-21)15-5-6-18(16(23)9-15)28-11-14(2)24-13-28/h5-6,9-13H,4,7-8H2,1-3H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533494 (CHEMBL4563281) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2cc(nn2C(C)(C)C)C(C)(C)C)n1 Show InChI InChI=1S/C24H29FN6S/c1-15-12-30(14-26-15)19-9-8-16(10-17(19)25)18-13-32-22(27-18)28-21-11-20(23(2,3)4)29-31(21)24(5,6)7/h8-14H,1-7H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533523 (CHEMBL4542775) Show SMILES CCCn1nc(cc1Nc1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1)C(C)(C)C Show InChI InChI=1S/C23H27FN6S/c1-6-9-30-21(11-20(28-30)23(3,4)5)27-22-26-18(13-31-22)16-7-8-19(17(24)10-16)29-12-15(2)25-14-29/h7-8,10-14H,6,9H2,1-5H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533490 (CHEMBL4528625) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2cc(nn2CC(F)(F)F)C(C)(C)C)n1 Show InChI InChI=1S/C22H22F4N6S/c1-13-9-31(12-27-13)17-6-5-14(7-15(17)23)16-10-33-20(28-16)29-19-8-18(21(2,3)4)30-32(19)11-22(24,25)26/h5-10,12H,11H2,1-4H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533508 (CHEMBL4589298) Show SMILES CC(C)n1nc(cc1Nc1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1)C(C)(C)C Show InChI InChI=1S/C23H27FN6S/c1-14(2)30-21(10-20(28-30)23(4,5)6)27-22-26-18(12-31-22)16-7-8-19(17(24)9-16)29-11-15(3)25-13-29/h7-14H,1-6H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533515 (CHEMBL4568142) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2c3CCCc3nn2C2CCC2)n1 Show InChI InChI=1S/C23H23FN6S/c1-14-11-29(13-25-14)21-9-8-15(10-18(21)24)20-12-31-23(26-20)27-22-17-6-3-7-19(17)28-30(22)16-4-2-5-16/h8-13,16H,2-7H2,1H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533526 (CHEMBL4566648) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2c3CCCc3nn2CC(F)(F)F)n1 Show InChI InChI=1S/C21H18F4N6S/c1-12-8-30(11-26-12)18-6-5-13(7-15(18)22)17-9-32-20(27-17)28-19-14-3-2-4-16(14)29-31(19)10-21(23,24)25/h5-9,11H,2-4,10H2,1H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533524 (CHEMBL4445058) Show SMILES CCn1nc(cc1Nc1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1)C(F)(F)F Show InChI InChI=1S/C19H16F4N6S/c1-3-29-17(7-16(27-29)19(21,22)23)26-18-25-14(9-30-18)12-4-5-15(13(20)6-12)28-8-11(2)24-10-28/h4-10H,3H2,1-2H3,(H,25,26)	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
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533504 (CHEMBL4571882) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2c3CCCCc3nn2CCF)n1 Show InChI InChI=1S/C22H22F2N6S/c1-14-11-29(13-25-14)20-7-6-15(10-17(20)24)19-12-31-22(26-19)27-21-16-4-2-3-5-18(16)28-30(21)9-8-23/h6-7,10-13H,2-5,8-9H2,1H3,(H,26,27)	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
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533499 (CHEMBL4467879) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2c3CCCCc3nn2C2CCC2)n1 Show InChI InChI=1S/C24H25FN6S/c1-15-12-30(14-26-15)22-10-9-16(11-19(22)25)21-13-32-24(27-21)28-23-18-7-2-3-8-20(18)29-31(23)17-5-4-6-17/h9-14,17H,2-8H2,1H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533517 (CHEMBL4456986) Show SMILES CCn1nc2CCCCCc2c1Nc1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1 Show InChI InChI=1S/C23H25FN6S/c1-3-30-22(17-7-5-4-6-8-19(17)28-30)27-23-26-20(13-31-23)16-9-10-21(18(24)11-16)29-12-15(2)25-14-29/h9-14H,3-8H2,1-2H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533529 (CHEMBL4589083) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2cc(nn2C(C)(C)C)C(F)(F)F)n1 Show InChI InChI=1S/C21H20F4N6S/c1-12-9-30(11-26-12)16-6-5-13(7-14(16)22)15-10-32-19(27-15)28-18-8-17(21(23,24)25)29-31(18)20(2,3)4/h5-11H,1-4H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533498 (CHEMBL4466262) Show SMILES CCCn1nc2CCCCc2c1Nc1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1 Show InChI InChI=1S/C23H25FN6S/c1-3-10-30-22(17-6-4-5-7-19(17)28-30)27-23-26-20(13-31-23)16-8-9-21(18(24)11-16)29-12-15(2)25-14-29/h8-9,11-14H,3-7,10H2,1-2H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533497 (CHEMBL4476368) Show SMILES CCn1nc2CCCCc2c1Nc1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1 Show InChI InChI=1S/C22H23FN6S/c1-3-29-21(16-6-4-5-7-18(16)27-29)26-22-25-19(12-30-22)15-8-9-20(17(23)10-15)28-11-14(2)24-13-28/h8-13H,3-7H2,1-2H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	163	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533514 (CHEMBL4439113) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2c3CCCc3nn2C(C)(C)C)n1 Show InChI InChI=1S/C23H25FN6S/c1-14-11-29(13-25-14)20-9-8-15(10-17(20)24)19-12-31-22(26-19)27-21-16-6-5-7-18(16)28-30(21)23(2,3)4/h8-13H,5-7H2,1-4H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533505 (CHEMBL4453897) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2c3CCCCc3nn2CC(F)(F)F)n1 Show InChI InChI=1S/C22H20F4N6S/c1-13-9-31(12-27-13)19-7-6-14(8-16(19)23)18-10-33-21(28-18)29-20-15-4-2-3-5-17(15)30-32(20)11-22(24,25)26/h6-10,12H,2-5,11H2,1H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	179	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533527 (CHEMBL4540107) Show SMILES CC(C)n1nc2CCCCc2c1Nc1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1 Show InChI InChI=1S/C23H25FN6S/c1-14(2)30-22(17-6-4-5-7-19(17)28-30)27-23-26-20(12-31-23)16-8-9-21(18(24)10-16)29-11-15(3)25-13-29/h8-14H,4-7H2,1-3H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533518 (CHEMBL4566050) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2c3CCCCc3nn2C)n1 Show InChI InChI=1S/C21H21FN6S/c1-13-10-28(12-23-13)19-8-7-14(9-16(19)22)18-11-29-21(24-18)25-20-15-5-3-4-6-17(15)26-27(20)2/h7-12H,3-6H2,1-2H3,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	208	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533491 (CHEMBL4458457) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2c3CCCCc3nn2C(C)(C)C)n1 Show InChI InChI=1S/C24H27FN6S/c1-15-12-30(14-26-15)21-10-9-16(11-18(21)25)20-13-32-23(27-20)28-22-17-7-5-6-8-19(17)29-31(22)24(2,3)4/h9-14H,5-8H2,1-4H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	216	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533500 (CHEMBL4468626) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2c3CCCCc3nn2C2CCCC2)n1 Show InChI InChI=1S/C25H27FN6S/c1-16-13-31(15-27-16)23-11-10-17(12-20(23)26)22-14-33-25(28-22)29-24-19-8-4-5-9-21(19)30-32(24)18-6-2-3-7-18/h10-15,18H,2-9H2,1H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	225	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533506 (CHEMBL4571724) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2c3CCCCc3nn2CCCO)n1 Show InChI InChI=1S/C23H25FN6OS/c1-15-12-29(14-25-15)21-8-7-16(11-18(21)24)20-13-32-23(26-20)27-22-17-5-2-3-6-19(17)28-30(22)9-4-10-31/h7-8,11-14,31H,2-6,9-10H2,1H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	229	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533521 (CHEMBL4526971) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2c3CCCCc3nn2CCCN2CCOCC2)n1 Show InChI InChI=1S/C27H32FN7OS/c1-19-16-34(18-29-19)25-8-7-20(15-22(25)28)24-17-37-27(30-24)31-26-21-5-2-3-6-23(21)32-35(26)10-4-9-33-11-13-36-14-12-33/h7-8,15-18H,2-6,9-14H2,1H3,(H,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533528 (CHEMBL4590845) Show SMILES COCCn1nc2CCCCc2c1Nc1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1 Show InChI InChI=1S/C23H25FN6OS/c1-15-12-29(14-25-15)21-8-7-16(11-18(21)24)20-13-32-23(26-20)27-22-17-5-3-4-6-19(17)28-30(22)9-10-31-2/h7-8,11-14H,3-6,9-10H2,1-2H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	272	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533501 (CHEMBL4483757) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2c3CCCCc3nn2C2CCCCC2)n1 Show InChI InChI=1S/C26H29FN6S/c1-17-14-32(16-28-17)24-12-11-18(13-21(24)27)23-15-34-26(29-23)30-25-20-9-5-6-10-22(20)31-33(25)19-7-3-2-4-8-19/h11-16,19H,2-10H2,1H3,(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533520 (CHEMBL4561383) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2c3CCCCc3nn2C2CCOC2)n1 Show InChI InChI=1S/C24H25FN6OS/c1-15-11-30(14-26-15)22-7-6-16(10-19(22)25)21-13-33-24(27-21)28-23-18-4-2-3-5-20(18)29-31(23)17-8-9-32-12-17/h6-7,10-11,13-14,17H,2-5,8-9,12H2,1H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	289	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533507 (CHEMBL4439618) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2cc(nn2C)C(C)(C)C)n1 Show InChI InChI=1S/C21H23FN6S/c1-13-10-28(12-23-13)17-7-6-14(8-15(17)22)16-11-29-20(24-16)25-19-9-18(21(2,3)4)26-27(19)5/h6-12H,1-5H3,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	294	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533493 (CHEMBL4456369) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2c3CCCCc3nn2CCO)n1 Show InChI InChI=1S/C22H23FN6OS/c1-14-11-28(13-24-14)20-7-6-15(10-17(20)23)19-12-31-22(25-19)26-21-16-4-2-3-5-18(16)27-29(21)8-9-30/h6-7,10-13,30H,2-5,8-9H2,1H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	362	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533509 (CHEMBL4465134) Show SMILES CCn1nc(cc1Nc1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1)C(C)C Show InChI InChI=1S/C21H23FN6S/c1-5-28-20(9-17(26-28)13(2)3)25-21-24-18(11-29-21)15-6-7-19(16(22)8-15)27-10-14(4)23-12-27/h6-13H,5H2,1-4H3,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	394	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533502 (CHEMBL4449698) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2c3CCCCc3nn2CCN2CCCCC2)n1 Show InChI InChI=1S/C27H32FN7S/c1-19-16-34(18-29-19)25-10-9-20(15-22(25)28)24-17-36-27(30-24)31-26-21-7-3-4-8-23(21)32-35(26)14-13-33-11-5-2-6-12-33/h9-10,15-18H,2-8,11-14H2,1H3,(H,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	475	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533487 (CHEMBL4583737) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2c3CCCCc3nn2C2CCOCC2)n1 Show InChI InChI=1S/C25H27FN6OS/c1-16-13-31(15-27-16)23-7-6-17(12-20(23)26)22-14-34-25(28-22)29-24-19-4-2-3-5-21(19)30-32(24)18-8-10-33-11-9-18/h6-7,12-15,18H,2-5,8-11H2,1H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	766	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533511 (CHEMBL4482957) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2cc(nn2CC(F)(F)F)C(F)(F)F)n1 Show InChI InChI=1S/C19H13F7N6S/c1-10-6-31(9-27-10)14-3-2-11(4-12(14)20)13-7-33-17(28-13)29-16-5-15(19(24,25)26)30-32(16)8-18(21,22)23/h2-7,9H,8H2,1H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	771	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) Show SMILES C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes assessed as 8-hydroxyefavirenz 14-hydroxylation after 10 mins				Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533488 (CHEMBL4580050) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2c3CCCc3nn2CCO)n1 Show InChI InChI=1S/C21H21FN6OS/c1-13-10-27(12-23-13)19-6-5-14(9-16(19)22)18-11-30-21(24-18)25-20-15-3-2-4-17(15)26-28(20)7-8-29/h5-6,9-12,29H,2-4,7-8H2,1H3,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533489 (CHEMBL4442422) Show SMILES CCn1nc2CCCCc2c1N(C)c1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1 Show InChI InChI=1S/C23H25FN6S/c1-4-30-22(17-7-5-6-8-19(17)27-30)28(3)23-26-20(13-31-23)16-9-10-21(18(24)11-16)29-12-15(2)25-14-29/h9-14H,4-8H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533492 (CHEMBL4517543) Show SMILES CN1CCC(CC1)n1nc2CCCCc2c1Nc1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1 Show InChI InChI=1S/C26H30FN7S/c1-17-14-33(16-28-17)24-8-7-18(13-21(24)27)23-15-35-26(29-23)30-25-20-5-3-4-6-22(20)31-34(25)19-9-11-32(2)12-10-19/h7-8,13-16,19H,3-6,9-12H2,1-2H3,(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533503 (CHEMBL4535130) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2c3CCCCc3nn2CCN2CCOCC2)n1 Show InChI InChI=1S/C26H30FN7OS/c1-18-15-33(17-28-18)24-7-6-19(14-21(24)27)23-16-36-26(29-23)30-25-20-4-2-3-5-22(20)31-34(25)9-8-32-10-12-35-13-11-32/h6-7,14-17H,2-5,8-13H2,1H3,(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533512 (CHEMBL4458399) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2c3CCCc3nn2C)n1 Show InChI InChI=1S/C20H19FN6S/c1-12-9-27(11-22-12)18-7-6-13(8-15(18)21)17-10-28-20(23-17)24-19-14-4-3-5-16(14)25-26(19)2/h6-11H,3-5H2,1-2H3,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533519 (CHEMBL4545908) Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1csc(Nc2[nH]nc3CCCCc23)n1 Show InChI InChI=1S/C20H19FN6S/c1-12-9-27(11-22-12)18-7-6-13(8-15(18)21)17-10-28-20(23-17)24-19-14-4-2-3-5-16(14)25-26-19/h6-11H,2-5H2,1H3,(H2,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50533530 (CHEMBL4581872) Show SMILES CCn1nccc1Nc1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1 Show InChI InChI=1S/C18H17FN6S/c1-3-25-17(6-7-21-25)23-18-22-15(10-26-18)13-4-5-16(14(19)8-13)24-9-12(2)20-11-24/h4-11H,3H2,1-2H3,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by EL...				Bioorg Med Chem Lett 26: 3928-37 (2016) Article DOI: 10.1016/j.bmcl.2016.07.011 BindingDB Entry DOI: 10.7270/Q2K077SR
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) Show SMILES C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes assessed as bupropion 4-hydroxylation after 10 mins				Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285
					More data for this Ligand-Target Pair

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