Compile Data Set for Download or QSAR

Found 226 hits with Last Name = 'wang' and Initial = 'hh'   

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))	BDBM50477923 (CHEMBL437977) Show SMILES C[C@H](CCCNS(C)(=O)=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H24Cl2N2O5S2/c1-14(4-3-11-22-29(2,25)26)23(19-12-17(21)6-5-15(19)13-24)30(27,28)18-9-7-16(20)8-10-18/h5-10,12,14,22,24H,3-4,11,13H2,1-2H3/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM29012 (N-[(4R)-4-{[5-chloro-2-(hydroxymethyl)phenyl](4-ch...) Show SMILES C[C@H](CCCN(C)S(C)(=O)=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H26Cl2N2O5S2/c1-15(5-4-12-23(2)30(3,26)27)24(20-13-18(22)7-6-16(20)14-25)31(28,29)19-10-8-17(21)9-11-19/h6-11,13,15,25H,4-5,12,14H2,1-3H3/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM29013 (4-chloro-N-[5-chloro-2-(hydroxymethyl)phenyl]-N-[(...) Show SMILES C[C@H](CCCn1cnnn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H21Cl2N5O3S/c1-14(3-2-10-25-13-22-23-24-25)26(19-11-17(21)5-4-15(19)12-27)30(28,29)18-8-6-16(20)7-9-18/h4-9,11,13-14,27H,2-3,10,12H2,1H3/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477936 (CHEMBL252052) Show SMILES C[C@H](CCCn1nnnc1N(C)C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H26Cl2N6O3S/c1-15(5-4-12-28-21(27(2)3)24-25-26-28)29(20-13-18(23)7-6-16(20)14-30)33(31,32)19-10-8-17(22)9-11-19/h6-11,13,15,30H,4-5,12,14H2,1-3H3/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477922 (CHEMBL252051) Show SMILES C[C@H](CCCn1nnnc1C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H23Cl2N5O3S/c1-14(4-3-11-26-15(2)23-24-25-26)27(20-12-18(22)6-5-16(20)13-28)31(29,30)19-9-7-17(21)8-10-19/h5-10,12,14,28H,3-4,11,13H2,1-2H3/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477915 (CHEMBL252846) Show SMILES C[C@H](CCCn1ccnn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H22Cl2N4O3S/c1-15(3-2-11-25-12-10-23-24-25)26(20-13-18(22)5-4-16(20)14-27)30(28,29)19-8-6-17(21)7-9-19/h4-10,12-13,15,27H,2-3,11,14H2,1H3/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477917 (CHEMBL253295) Show SMILES C[C@H](CCCN1CCCS1(=O)=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H26Cl2N2O5S2/c1-16(4-2-11-24-12-3-13-31(24,27)28)25(21-14-19(23)6-5-17(21)15-26)32(29,30)20-9-7-18(22)8-10-20/h5-10,14,16,26H,2-4,11-13,15H2,1H3/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477945 (CHEMBL429838) Show SMILES C[C@H](CCCn1ncnn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H21Cl2N5O3S/c1-14(3-2-10-25-23-13-22-24-25)26(19-11-17(21)5-4-15(19)12-27)30(28,29)18-8-6-16(20)7-9-18/h4-9,11,13-14,27H,2-3,10,12H2,1H3/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477932 (CHEMBL253091) Show SMILES C[C@H](CCCNC(=O)[C@H](O)c1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H28Cl2N2O5S/c1-18(6-5-15-29-26(33)25(32)19-7-3-2-4-8-19)30(24-16-22(28)10-9-20(24)17-31)36(34,35)23-13-11-21(27)12-14-23/h2-4,7-14,16,18,25,31-32H,5-6,15,17H2,1H3,(H,29,33)/t18-,25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus infected Sf9 insect cells using RHK-K(Ac)-AMC as sub...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116454 BindingDB Entry DOI: 10.7270/Q2XS6097
					More data for this Ligand-Target Pair				3D Structure (crystal)
Presenilin-1 (Homo sapiens (Human))	BDBM50477939 (CHEMBL253092) Show SMILES C[C@H](CCCNC(=O)[C@@H](O)c1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H28Cl2N2O5S/c1-18(6-5-15-29-26(33)25(32)19-7-3-2-4-8-19)30(24-16-22(28)10-9-20(24)17-31)36(34,35)23-13-11-21(27)12-14-23/h2-4,7-14,16,18,25,31-32H,5-6,15,17H2,1H3,(H,29,33)/t18-,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477933 (CHEMBL253041) Show SMILES C[C@H](CCCN1CCOCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H28Cl2N2O4S/c1-17(3-2-10-25-11-13-30-14-12-25)26(22-15-20(24)5-4-18(22)16-27)31(28,29)21-8-6-19(23)7-9-21/h4-9,15,17,27H,2-3,10-14,16H2,1H3/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476941 (CHEMBL233363) Show SMILES C[C@H](CCc1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H23Cl2NO3S/c1-17(7-8-18-5-3-2-4-6-18)26(23-15-21(25)10-9-19(23)16-27)30(28,29)22-13-11-20(24)12-14-22/h2-6,9-15,17,27H,7-8,16H2,1H3/t17-/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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477943 (CHEMBL437405) Show SMILES C[C@H](CCCn1cncn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H22Cl2N4O3S/c1-15(3-2-10-25-14-23-13-24-25)26(20-11-18(22)5-4-16(20)12-27)30(28,29)19-8-6-17(21)7-9-19/h4-9,11,13-15,27H,2-3,10,12H2,1H3/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476940 (CHEMBL233362) Show SMILES CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H21Cl2NO3S/c1-3-4-13(2)21(18-11-16(20)6-5-14(18)12-22)25(23,24)17-9-7-15(19)8-10-17/h5-11,13,22H,3-4,12H2,1-2H3/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476940 (CHEMBL233362) Show SMILES CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H21Cl2NO3S/c1-3-4-13(2)21(18-11-16(20)6-5-14(18)12-22)25(23,24)17-9-7-15(19)8-10-17/h5-11,13,22H,3-4,12H2,1-2H3/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476939 (CHEMBL233364) Show SMILES CCCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H23Cl2NO3S/c1-3-4-5-14(2)22(19-12-17(21)7-6-15(19)13-23)26(24,25)18-10-8-16(20)9-11-18/h6-12,14,23H,3-5,13H2,1-2H3/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477929 (CHEMBL253283) Show SMILES C[C@H](CCCNC=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H22Cl2N2O4S/c1-14(3-2-10-22-13-25)23(19-11-17(21)5-4-15(19)12-24)28(26,27)18-8-6-16(20)7-9-18/h4-9,11,13-14,24H,2-3,10,12H2,1H3,(H,22,25)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477925 (CHEMBL251856) Show SMILES C[C@H](CCCn1nnc(n1)N(C)C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H26Cl2N6O3S/c1-15(5-4-12-28-25-21(24-26-28)27(2)3)29(20-13-18(23)7-6-16(20)14-30)33(31,32)19-10-8-17(22)9-11-19/h6-11,13,15,30H,4-5,12,14H2,1-3H3/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477921 (CHEMBL404294) Show SMILES C[C@H](CCCn1nnc(C)n1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H23Cl2N5O3S/c1-14(4-3-11-26-24-15(2)23-25-26)27(20-12-18(22)6-5-16(20)13-28)31(29,30)19-9-7-17(21)8-10-19/h5-10,12,14,28H,3-4,11,13H2,1-2H3/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477937 (CHEMBL253727) Show SMILES C[C@H](CCCN(C)C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H26Cl2N2O3S/c1-15(5-4-12-23(2)3)24(20-13-18(22)7-6-16(20)14-25)28(26,27)19-10-8-17(21)9-11-19/h6-11,13,15,25H,4-5,12,14H2,1-3H3/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477940 (CHEMBL252305) Show SMILES COCC(=O)NCCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H26Cl2N2O5S/c1-15(4-3-11-24-21(27)14-30-2)25(20-12-18(23)6-5-16(20)13-26)31(28,29)19-9-7-17(22)8-10-19/h5-10,12,15,26H,3-4,11,13-14H2,1-2H3,(H,24,27)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476947 (CHEMBL394661) Show SMILES CC(CCCF)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H20Cl2FNO3S/c1-13(3-2-10-21)22(18-11-16(20)5-4-14(18)12-23)26(24,25)17-8-6-15(19)7-9-17/h4-9,11,13,23H,2-3,10,12H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477942 (CHEMBL252303) Show SMILES C[C@H](CCCNC(C)=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H24Cl2N2O4S/c1-14(4-3-11-23-15(2)26)24(20-12-18(22)6-5-16(20)13-25)29(27,28)19-9-7-17(21)8-10-19/h5-10,12,14,25H,3-4,11,13H2,1-2H3,(H,23,26)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477912 (CHEMBL253296) Show SMILES C[C@H](CCCNS(=O)(=O)c1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H26Cl2N2O5S2/c1-18(6-5-15-27-34(30,31)22-7-3-2-4-8-22)28(24-16-21(26)10-9-19(24)17-29)35(32,33)23-13-11-20(25)12-14-23/h2-4,7-14,16,18,27,29H,5-6,15,17H2,1H3/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477927 (CHEMBL252304) Show SMILES C[C@H](CCCNC(=O)CO)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H24Cl2N2O5S/c1-14(3-2-10-23-20(27)13-26)24(19-11-17(22)5-4-15(19)12-25)30(28,29)18-8-6-16(21)7-9-18/h4-9,11,14,25-26H,2-3,10,12-13H2,1H3,(H,23,27)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length recombinant C-terminal FLAG/His-tagged human HDAC1 expressed in baculovirus infected Sf21 insect cells using RHK-K(Ac)-AMC ...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116454 BindingDB Entry DOI: 10.7270/Q2XS6097
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477918 (CHEMBL403739) Show SMILES C[C@H](CCCn1ccnc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23Cl2N3O3S/c1-16(3-2-11-25-12-10-24-15-25)26(21-13-19(23)5-4-17(21)14-27)30(28,29)20-8-6-18(22)7-9-20/h4-10,12-13,15-16,27H,2-3,11,14H2,1H3/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476919 (CHEMBL232948) Show SMILES CC(C1CCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H21Cl2NO3S/c1-13(14-3-2-4-14)22(19-11-17(21)6-5-15(19)12-23)26(24,25)18-9-7-16(20)8-10-18/h5-11,13-14,23H,2-4,12H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477916 (CHEMBL252645) Show SMILES C[C@H](CCCn1nccn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H22Cl2N4O3S/c1-15(3-2-12-25-23-10-11-24-25)26(20-13-18(22)5-4-16(20)14-27)30(28,29)19-8-6-17(21)7-9-19/h4-11,13,15,27H,2-3,12,14H2,1H3/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476912 (CHEMBL231714) Show SMILES CCN(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H15Cl2NO3S/c1-2-18(15-9-13(17)4-3-11(15)10-19)22(20,21)14-7-5-12(16)6-8-14/h3-9,19H,2,10H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477941 (CHEMBL403841) Show SMILES CCC(=O)NCCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H26Cl2N2O4S/c1-3-21(27)24-12-4-5-15(2)25(20-13-18(23)7-6-16(20)14-26)30(28,29)19-10-8-17(22)9-11-19/h6-11,13,15,26H,3-5,12,14H2,1-2H3,(H,24,27)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476922 (CHEMBL391377) Show SMILES C[C@H](CC=C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H19Cl2NO3S/c1-3-4-13(2)21(18-11-16(20)6-5-14(18)12-22)25(23,24)17-9-7-15(19)8-10-17/h3,5-11,13,22H,1,4,12H2,2H3/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477914 (CHEMBL252694) Show SMILES CC(C)C(=O)NCCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H28Cl2N2O4S/c1-15(2)22(28)25-12-4-5-16(3)26(21-13-19(24)7-6-17(21)14-27)31(29,30)20-10-8-18(23)9-11-20/h6-11,13,15-16,27H,4-5,12,14H2,1-3H3,(H,25,28)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476953 (CHEMBL232949) Show SMILES CC(C1CCCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H23Cl2NO3S/c1-14(15-4-2-3-5-15)23(20-12-18(22)7-6-16(20)13-24)27(25,26)19-10-8-17(21)9-11-19/h6-12,14-15,24H,2-5,13H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477920 (CHEMBL404295) Show SMILES C[C@H](CCCn1nnnc1-c1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H25Cl2N5O3S/c1-18(6-5-15-31-25(28-29-30-31)19-7-3-2-4-8-19)32(24-16-22(27)10-9-20(24)17-33)36(34,35)23-13-11-21(26)12-14-23/h2-4,7-14,16,18,33H,5-6,15,17H2,1H3/t18-/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
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477924 (CHEMBL428941) Show SMILES C[C@H](CCCNC(=O)c1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H26Cl2N2O4S/c1-18(6-5-15-28-25(31)19-7-3-2-4-8-19)29(24-16-22(27)10-9-20(24)17-30)34(32,33)23-13-11-21(26)12-14-23/h2-4,7-14,16,18,30H,5-6,15,17H2,1H3,(H,28,31)/t18-/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
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477946 (CHEMBL252644) Show SMILES C[C@H](CCCn1cccn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23Cl2N3O3S/c1-16(4-2-12-25-13-3-11-24-25)26(21-14-19(23)6-5-17(21)15-27)30(28,29)20-9-7-18(22)8-10-20/h3,5-11,13-14,16,27H,2,4,12,15H2,1H3/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476957 (CHEMBL231767) Show SMILES CCCC(C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H21Cl2NO3S/c1-3-4-13(2)21(18-11-16(20)6-5-14(18)12-22)25(23,24)17-9-7-15(19)8-10-17/h5-11,13,22H,3-4,12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476917 (CHEMBL232152) Show SMILES CC(N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H18Cl3NO3S/c1-14(15-2-5-17(22)6-3-15)25(21-12-19(24)7-4-16(21)13-26)29(27,28)20-10-8-18(23)9-11-20/h2-12,14,26H,13H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476911 (CHEMBL394660) Show SMILES CC(C)CC(C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H23Cl2NO3S/c1-13(2)10-14(3)22(19-11-17(21)5-4-15(19)12-23)26(24,25)18-8-6-16(20)7-9-18/h4-9,11,13-14,23H,10,12H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476932 (CHEMBL391173) Show SMILES CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C19H24ClNO3S/c1-4-5-15(3)21(19-12-17(20)9-8-16(19)13-22)25(23,24)18-10-6-14(2)7-11-18/h6-12,15,22H,4-5,13H2,1-3H3/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476935 (CHEMBL231731) Show SMILES CC(CCF)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H18Cl2FNO3S/c1-12(8-9-20)21(17-10-15(19)3-2-13(17)11-22)25(23,24)16-6-4-14(18)5-7-16/h2-7,10,12,22H,8-9,11H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477938 (CHEMBL252894) Show SMILES C[C@H](CCCNC(=O)Cc1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H28Cl2N2O4S/c1-19(6-5-15-29-26(32)16-20-7-3-2-4-8-20)30(25-17-23(28)10-9-21(25)18-31)35(33,34)24-13-11-22(27)12-14-24/h2-4,7-14,17,19,31H,5-6,15-16,18H2,1H3,(H,29,32)/t19-/m1/s1	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
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	28.6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length recombinant C-terminal GST-fusion-tagged human HDAC2 expressed in insect cells using RHK-K(Ac)-AMC as substrate measured af...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116454 BindingDB Entry DOI: 10.7270/Q2XS6097
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477944 (CHEMBL252840) Show SMILES C[C@H](CCCNC1CCCO1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H28Cl2N2O4S/c1-16(4-2-12-25-22-5-3-13-30-22)26(21-14-19(24)7-6-17(21)15-27)31(28,29)20-10-8-18(23)9-11-20/h6-11,14,16,22,25,27H,2-5,12-13,15H2,1H3/t16-,22?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477926 (CHEMBL253042) Show SMILES C[C@H](CCCN1CCN(C)CC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H31Cl2N3O3S/c1-18(4-3-11-27-14-12-26(2)13-15-27)28(23-16-21(25)6-5-19(23)17-29)32(30,31)22-9-7-20(24)8-10-22/h5-10,16,18,29H,3-4,11-15,17H2,1-2H3/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of histidine-tagged human recombinant cytoplasmic domain of EGFR expressed in baculovirus infected insect Sf9 cells after 1 hr by DELFIA/t...				Bioorg Med Chem 20: 2010-8 (2012) Article DOI: 10.1016/j.bmc.2012.01.051 BindingDB Entry DOI: 10.7270/Q27081WW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	32.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of VEGFR2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116454 BindingDB Entry DOI: 10.7270/Q2XS6097
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476924 (CHEMBL393316) Show SMILES CC(C1CCCCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H25Cl2NO3S/c1-15(16-5-3-2-4-6-16)24(21-13-19(23)8-7-17(21)14-25)28(26,27)20-11-9-18(22)10-12-20/h7-13,15-16,25H,2-6,14H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair

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