Compile Data Set for Download or QSAR

Found 318 hits with Last Name = 'smith' and Initial = 'dw'   

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))	BDBM50477513 (CHEMBL392246) Show SMILES C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:27| Show InChI InChI=1S/C21H20F2N4O4/c1-11(25-20(30)18(28)13-7-14(22)9-15(23)8-13)19(29)26-17-16-6-4-3-5-12(16)10-24-27(2)21(17)31/h3-11,17-18,28H,1-2H3,(H,25,30)(H,26,29)/t11-,17?,18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells				Bioorg Med Chem Lett 17: 4006-11 (2007) Article DOI: 10.1016/j.bmcl.2007.04.082 BindingDB Entry DOI: 10.7270/Q2XD14GF
					More data for this Ligand-Target Pair
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))	BDBM50477516 (BMS-433796 | CHEMBL247361) Show SMILES C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2C=NN(C)C1=O |r,c:27| Show InChI InChI=1S/C21H20F2N4O4/c1-11(25-20(30)18(28)13-7-14(22)9-15(23)8-13)19(29)26-17-16-6-4-3-5-12(16)10-24-27(2)21(17)31/h3-11,17-18,28H,1-2H3,(H,25,30)(H,26,29)/t11-,17-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells				Bioorg Med Chem Lett 17: 4006-11 (2007) Article DOI: 10.1016/j.bmcl.2007.04.082 BindingDB Entry DOI: 10.7270/Q2XD14GF
					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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50007692 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C24H32N4O2S/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against rat 5-hydroxytryptamine 2 receptor in rat cerebral cortex tissue using [3H]-spiperone as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50007692 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C24H32N4O2S/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2 receptor measured using radioligand ([3H]spiperone) binding assay				J Med Chem 29: 359-69 (1986) BindingDB Entry DOI: 10.7270/Q24X58C9
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477528 (CHEMBL397844) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:28| Show InChI InChI=1S/C24H28N4O4/c1-15(2)13-19(26-23(31)21(29)16-9-5-4-6-10-16)22(30)27-20-18-12-8-7-11-17(18)14-25-28(3)24(20)32/h4-12,14-15,19-21,29H,13H2,1-3H3,(H,26,31)(H,27,30)/t19-,20?,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells				Bioorg Med Chem Lett 17: 4006-11 (2007) Article DOI: 10.1016/j.bmcl.2007.04.082 BindingDB Entry DOI: 10.7270/Q2XD14GF
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477531 (CHEMBL396808) Show SMILES CC(C)C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:29| Show InChI InChI=1S/C24H26F2N4O3/c1-14(2)8-20(28-21(31)11-15-9-17(25)12-18(26)10-15)23(32)29-22-19-7-5-4-6-16(19)13-27-30(3)24(22)33/h4-7,9-10,12-14,20,22H,8,11H2,1-3H3,(H,28,31)(H,29,32)/t20-,22?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells				Bioorg Med Chem Lett 17: 4006-11 (2007) Article DOI: 10.1016/j.bmcl.2007.04.082 BindingDB Entry DOI: 10.7270/Q2XD14GF
					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))	BDBM50477536 (CHEMBL247155) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccsc1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:26| Show InChI InChI=1S/C22H26N4O3S/c1-14(2)10-18(24-19(27)11-15-8-9-30-13-15)21(28)25-20-17-7-5-4-6-16(17)12-23-26(3)22(20)29/h4-9,12-14,18,20H,10-11H2,1-3H3,(H,24,27)(H,25,28)/t18-,20?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells				Bioorg Med Chem Lett 17: 4006-11 (2007) Article DOI: 10.1016/j.bmcl.2007.04.082 BindingDB Entry DOI: 10.7270/Q2XD14GF
					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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50007693 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES OC1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C(=O)C2 Show InChI InChI=1S/C24H32N4O3S/c29-18-7-8-24(15-18)16-21(30)28(22(31)17-24)10-4-3-9-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)32-25-23/h1-2,5-6,18,29H,3-4,7-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.876	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]WB-4101 as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50367315 (CHEMBL1203220) Show SMILES O=C1CSC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C18H22N4O2S2/c23-16-13-25-18(24)22(16)8-4-3-7-20-9-11-21(12-10-20)17-14-5-1-2-6-15(14)26-19-17/h1-2,5-6H,3-4,7-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101				J Med Chem 29: 359-69 (1986) BindingDB Entry DOI: 10.7270/Q24X58C9
					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))	BDBM50477526 (CHEMBL429292) Show SMILES C[C@H](NC(=O)C(=O)c1cc(F)cc(F)c1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:27| Show InChI InChI=1S/C21H18F2N4O4/c1-11(25-20(30)18(28)13-7-14(22)9-15(23)8-13)19(29)26-17-16-6-4-3-5-12(16)10-24-27(2)21(17)31/h3-11,17H,1-2H3,(H,25,30)(H,26,29)/t11-,17?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells				Bioorg Med Chem Lett 17: 4006-11 (2007) Article DOI: 10.1016/j.bmcl.2007.04.082 BindingDB Entry DOI: 10.7270/Q2XD14GF
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50223758 (CHEMBL58925) Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)c1ccccc1 |r| Show InChI InChI=1S/C28H45N3O4/c1-5-6-17-31(4)28(35)24(19-21-13-9-7-10-14-21)30-26(33)23(18-20(2)3)29-27(34)25(32)22-15-11-8-12-16-22/h8,11-12,15-16,20-21,23-25,32H,5-7,9-10,13-14,17-19H2,1-4H3,(H,29,34)(H,30,33)/t23-,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production				Bioorg Med Chem Lett 14: 1917-21 (2004) BindingDB Entry DOI: 10.7270/Q2TT4T4K
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019378 (3-[4-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-buty...) Show SMILES Oc1csc(=O)n1CCCCN1CCN(CC1)c1noc2ccccc12 Show InChI InChI=1S/C18H22N4O3S/c23-16-13-26-18(24)22(16)8-4-3-7-20-9-11-21(12-10-20)17-14-5-1-2-6-15(14)25-19-17/h1-2,5-6,13,23H,3-4,7-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101				J Med Chem 29: 359-69 (1986) BindingDB Entry DOI: 10.7270/Q24X58C9
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477521 (CHEMBL439210) Show SMILES C[C@H](NC(=O)Cc1ccsc1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:23| Show InChI InChI=1S/C19H20N4O3S/c1-12(21-16(24)9-13-7-8-27-11-13)18(25)22-17-15-6-4-3-5-14(15)10-20-23(2)19(17)26/h3-8,10-12,17H,9H2,1-2H3,(H,21,24)(H,22,25)/t12-,17?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells				Bioorg Med Chem Lett 17: 4006-11 (2007) Article DOI: 10.1016/j.bmcl.2007.04.082 BindingDB Entry DOI: 10.7270/Q2XD14GF
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50125393 (CHEMBL57014) Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)C(O)(O)c1ccccc1 Show InChI InChI=1S/C13H11N5/c14-12-15-8-16-13(18-12)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H3,14,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production				Bioorg Med Chem Lett 14: 1917-21 (2004) BindingDB Entry DOI: 10.7270/Q2TT4T4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50007690 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES OC1C(=O)N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)CC11CCCC1 Show InChI InChI=1S/C24H32N4O3S/c29-20-17-24(9-3-4-10-24)21(30)23(31)28(20)12-6-5-11-26-13-15-27(16-14-26)22-18-7-1-2-8-19(18)32-25-22/h1-2,7-8,21,30H,3-6,9-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against rat 5-hydroxytryptamine 2 receptor in rat cerebral cortex tissue using [3H]-spiperone as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					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))	BDBM50477517 (CHEMBL246785) Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2C(C)=NN(C)C1=O |c:27| Show InChI InChI=1S/C22H22F2N4O3/c1-12-17-6-4-5-7-18(17)20(22(31)28(3)27-12)26-21(30)13(2)25-19(29)10-14-8-15(23)11-16(24)9-14/h4-9,11,13,20H,10H2,1-3H3,(H,25,29)(H,26,30)/t13-,20?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells				Bioorg Med Chem Lett 17: 4006-11 (2007) Article DOI: 10.1016/j.bmcl.2007.04.082 BindingDB Entry DOI: 10.7270/Q2XD14GF
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50007694 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES O=C1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C(=O)C2 Show InChI InChI=1S/C24H30N4O3S/c29-18-7-8-24(15-18)16-21(30)28(22(31)17-24)10-4-3-9-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)32-25-23/h1-2,5-6H,3-4,7-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]WB-4101 as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50007690 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES OC1C(=O)N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)CC11CCCC1 Show InChI InChI=1S/C24H32N4O3S/c29-20-17-24(9-3-4-10-24)21(30)23(31)28(20)12-6-5-11-26-13-15-27(16-14-26)22-18-7-1-2-8-19(18)32-25-22/h1-2,7-8,21,30H,3-6,9-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]WB-4101 as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477534 (CHEMBL397394) Show SMILES CC(C)C[C@H](NC(=O)Cc1cccs1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:26| Show InChI InChI=1S/C22H26N4O3S/c1-14(2)11-18(24-19(27)12-16-8-6-10-30-16)21(28)25-20-17-9-5-4-7-15(17)13-23-26(3)22(20)29/h4-10,13-14,18,20H,11-12H2,1-3H3,(H,24,27)(H,25,28)/t18-,20?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells				Bioorg Med Chem Lett 17: 4006-11 (2007) Article DOI: 10.1016/j.bmcl.2007.04.082 BindingDB Entry DOI: 10.7270/Q2XD14GF
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019359 (4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-1-(4-...) Show SMILES OC(CCCN1CCN(CC1)c1nsc2ccccc12)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3OS/c22-17-9-7-16(8-10-17)19(26)5-3-11-24-12-14-25(15-13-24)21-18-4-1-2-6-20(18)27-23-21/h1-2,4,6-10,19,26H,3,5,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101				J Med Chem 29: 359-69 (1986) BindingDB Entry DOI: 10.7270/Q24X58C9
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019376 (4-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(4-fl...) Show SMILES OC(CCCN1CCN(CC1)c1noc2ccccc12)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O2/c22-17-9-7-16(8-10-17)19(26)5-3-11-24-12-14-25(15-13-24)21-18-4-1-2-6-20(18)27-23-21/h1-2,4,6-10,19,26H,3,5,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101				J Med Chem 29: 359-69 (1986) BindingDB Entry DOI: 10.7270/Q24X58C9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50019359 (4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-1-(4-...) Show SMILES OC(CCCN1CCN(CC1)c1nsc2ccccc12)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3OS/c22-17-9-7-16(8-10-17)19(26)5-3-11-24-12-14-25(15-13-24)21-18-4-1-2-6-20(18)27-23-21/h1-2,4,6-10,19,26H,3,5,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for rat striatal Dopamine receptor D2 labeled with [3H]spiperone				J Med Chem 29: 359-69 (1986) BindingDB Entry DOI: 10.7270/Q24X58C9
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477519 (CHEMBL397335) Show SMILES CC(C)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:28| Show InChI InChI=1S/C24H27FN4O3/c1-15(2)11-20(27-21(30)13-16-7-6-9-18(25)12-16)23(31)28-22-19-10-5-4-8-17(19)14-26-29(3)24(22)32/h4-10,12,14-15,20,22H,11,13H2,1-3H3,(H,27,30)(H,28,31)/t20-,22?/m0/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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells				Bioorg Med Chem Lett 17: 4006-11 (2007) Article DOI: 10.1016/j.bmcl.2007.04.082 BindingDB Entry DOI: 10.7270/Q2XD14GF
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477511 (CHEMBL245385) Show SMILES C[C@H](NC(=O)Cc1ccoc1)C(=O)NC1c2ccccc2C(C)=NN(C)C1=O |c:24| Show InChI InChI=1S/C20H22N4O4/c1-12-15-6-4-5-7-16(15)18(20(27)24(3)23-12)22-19(26)13(2)21-17(25)10-14-8-9-28-11-14/h4-9,11,13,18H,10H2,1-3H3,(H,21,25)(H,22,26)/t13-,18?/m0/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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells				Bioorg Med Chem Lett 17: 4006-11 (2007) Article DOI: 10.1016/j.bmcl.2007.04.082 BindingDB Entry DOI: 10.7270/Q2XD14GF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50007693 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES OC1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C(=O)C2 Show InChI InChI=1S/C24H32N4O3S/c29-18-7-8-24(15-18)16-21(30)28(22(31)17-24)10-4-3-9-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)32-25-23/h1-2,5-6,18,29H,3-4,7-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against rat 5-hydroxytryptamine 2 receptor in rat cerebral cortex tissue using [3H]-spiperone as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50007691 (3-Oxo-2-oxa-spiro[4.4]nonane-1-carboxylic acid [4-...) Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)C1OC(=O)CC11CCCC1 Show InChI InChI=1S/C24H32N4O3S/c29-20-17-24(9-3-4-10-24)21(31-20)23(30)25-11-5-6-12-27-13-15-28(16-14-27)22-18-7-1-2-8-19(18)32-26-22/h1-2,7-8,21H,3-6,9-17H2,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]WB-4101 as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50007694 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES O=C1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C(=O)C2 Show InChI InChI=1S/C24H30N4O3S/c29-18-7-8-24(15-18)16-21(30)28(22(31)17-24)10-4-3-9-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)32-25-23/h1-2,5-6H,3-4,7-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against rat 5-hydroxytryptamine 2 receptor in rat cerebral cortex tissue using [3H]-spiperone as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50007692 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C24H32N4O2S/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor of rat hippocampal tissue with [3H]-8-OH-DPAT				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50007694 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES O=C1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C(=O)C2 Show InChI InChI=1S/C24H30N4O3S/c29-18-7-8-24(15-18)16-21(30)28(22(31)17-24)10-4-3-9-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)32-25-23/h1-2,5-6H,3-4,7-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor using in rat hippocampal tissue using [3H]-8-OH-DPAT as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477530 (CHEMBL246575) Show SMILES C[C@H](NC(=O)Cc1cccs1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:23| Show InChI InChI=1S/C19H20N4O3S/c1-12(21-16(24)10-14-7-5-9-27-14)18(25)22-17-15-8-4-3-6-13(15)11-20-23(2)19(17)26/h3-9,11-12,17H,10H2,1-2H3,(H,21,24)(H,22,25)/t12-,17?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells				Bioorg Med Chem Lett 17: 4006-11 (2007) Article DOI: 10.1016/j.bmcl.2007.04.082 BindingDB Entry DOI: 10.7270/Q2XD14GF
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019372 (8-[3-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-pr...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C23H30N4O2S/c28-20-16-23(8-3-4-9-23)17-21(29)27(20)11-5-10-25-12-14-26(15-13-25)22-18-6-1-2-7-19(18)30-24-22/h1-2,6-7H,3-5,8-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101				J Med Chem 29: 359-69 (1986) BindingDB Entry DOI: 10.7270/Q24X58C9
					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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50007693 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES OC1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C(=O)C2 Show InChI InChI=1S/C24H32N4O3S/c29-18-7-8-24(15-18)16-21(30)28(22(31)17-24)10-4-3-9-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)32-25-23/h1-2,5-6,18,29H,3-4,7-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor using in rat hippocampal tissue using [3H]-8-OH-DPAT as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					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))	BDBM50477524 (CHEMBL246784) Show SMILES CC(C)N1N=Cc2ccccc2C(NC(=O)[C@H](C)NC(=O)Cc2cc(F)cc(F)c2)C1=O |c:4| Show InChI InChI=1S/C23H24F2N4O3/c1-13(2)29-23(32)21(19-7-5-4-6-16(19)12-26-29)28-22(31)14(3)27-20(30)10-15-8-17(24)11-18(25)9-15/h4-9,11-14,21H,10H2,1-3H3,(H,27,30)(H,28,31)/t14-,21?/m0/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 Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells				Bioorg Med Chem Lett 17: 4006-11 (2007) Article DOI: 10.1016/j.bmcl.2007.04.082 BindingDB Entry DOI: 10.7270/Q2XD14GF
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019368 (1-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)C1 Show InChI InChI=1S/C22H30N4O2S/c1-22(2)15-19(27)26(20(28)16-22)10-6-5-9-24-11-13-25(14-12-24)21-17-7-3-4-8-18(17)29-23-21/h3-4,7-8H,5-6,9-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101				J Med Chem 29: 359-69 (1986) BindingDB Entry DOI: 10.7270/Q24X58C9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50007691 (3-Oxo-2-oxa-spiro[4.4]nonane-1-carboxylic acid [4-...) Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)C1OC(=O)CC11CCCC1 Show InChI InChI=1S/C24H32N4O3S/c29-20-17-24(9-3-4-10-24)21(31-20)23(30)25-11-5-6-12-27-13-15-28(16-14-27)22-18-7-1-2-8-19(18)32-26-22/h1-2,7-8,21H,3-6,9-17H2,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against rat 5-hydroxytryptamine 2 receptor in rat cerebral cortex tissue using [3H]-spiperone as radioligand				J Med Chem 34: 3316-28 (1991) BindingDB Entry DOI: 10.7270/Q29Z93VX
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50132321 (CHEMBL298738) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C20H22N5O5P/c1-30-14-6-2-4-12(8-14)18-17-19(21)22-11-23-20(17)25(24-18)13-5-3-7-15(9-13)31(28,29)10-16(26)27/h2,4-5,8-9,11,14H,3,6-7,10H2,1H3,(H,26,27)(H,28,29)(H2,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production				Bioorg Med Chem Lett 14: 1917-21 (2004) BindingDB Entry DOI: 10.7270/Q2TT4T4K
					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

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