Compile Data Set for Download or QSAR

Found 76 hits with Last Name = 'robertson' and Initial = 'bj'   

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))	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))	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))	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))	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))	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))	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]IN973 from gamma-secretase in human THP1 cells				J Biol Chem 282: 36829-36 (2007) Article DOI: 10.1074/jbc.m707002200 BindingDB Entry DOI: 10.7270/Q2X3517G
					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
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
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
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
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
Presenilin-1 (Homo sapiens (Human))	BDBM50100434 (CHEMBL302004 | L-68458 | L-685458 | tert-butyl (2S...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C39H52N4O6/c1-26(2)21-33(37(47)41-32(35(40)45)24-29-19-13-8-14-20-29)42-36(46)30(22-27-15-9-6-10-16-27)25-34(44)31(23-28-17-11-7-12-18-28)43-38(48)49-39(3,4)5/h6-20,26,30-34,44H,21-25H2,1-5H3,(H2,40,45)(H,41,47)(H,42,46)(H,43,48)/t30-,31+,32+,33+,34-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]L685458 from gamma-secretase in human THP1 cells				J Biol Chem 282: 36829-36 (2007) Article DOI: 10.1074/jbc.m707002200 BindingDB Entry DOI: 10.7270/Q2X3517G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Presenilin-1 (Homo sapiens (Human))	BDBM50477533 (CHEMBL246369) Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:26| Show InChI InChI=1S/C21H20F2N4O3/c1-12(25-18(28)9-13-7-15(22)10-16(23)8-13)20(29)26-19-17-6-4-3-5-14(17)11-24-27(2)21(19)30/h3-8,10-12,19H,9H2,1-2H3,(H,25,28)(H,26,29)/t12-,19?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM50478375 (CHEBI:86193 | CHEMBL255682) Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 |r| Show InChI InChI=1S/C23H26F2N2O4/c1-14(26-19(28)12-15-10-17(24)13-18(25)11-15)21(29)27-20(16-8-6-5-7-9-16)22(30)31-23(2,3)4/h5-11,13-14,20H,12H2,1-4H3,(H,26,28)(H,27,29)/t14-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]IN973 from gamma-secretase in human THP1 cells				J Biol Chem 282: 36829-36 (2007) Article DOI: 10.1074/jbc.m707002200 BindingDB Entry DOI: 10.7270/Q2X3517G
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM209909 (US9273014, Comparative Compound 45 | US9427442, Co...) Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:13| Show InChI InChI=1S/C27H34N4O3/c1-5-11-19(24(28)32)21(16-17(2)3)26(33)30-25-27(34)31(4)22-15-10-9-14-20(22)23(29-25)18-12-7-6-8-13-18/h6-10,12-15,17,19,21,25H,5,11,16H2,1-4H3,(H2,28,32)(H,30,33)/t19-,21+,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]IN973 from gamma-secretase in human THP1 cells				J Biol Chem 282: 36829-36 (2007) Article DOI: 10.1074/jbc.m707002200 BindingDB Entry DOI: 10.7270/Q2X3517G
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477535 (CHEMBL397547) Show SMILES C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:25| Show InChI InChI=1S/C21H21FN4O3/c1-13(24-18(27)11-14-6-5-8-16(22)10-14)20(28)25-19-17-9-4-3-7-15(17)12-23-26(2)21(19)29/h3-10,12-13,19H,11H2,1-2H3,(H,24,27)(H,25,28)/t13-,19?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM50263008 (CHEMBL255473) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C43H64N6O9/c1-27(2)19-34(46-40(53)36(21-29(5)6)48-42(55)57-25-31-15-11-9-12-16-31)38(51)44-23-33(50)24-45-39(52)35(20-28(3)4)47-41(54)37(22-30(7)8)49-43(56)58-26-32-17-13-10-14-18-32/h9-18,27-30,34-37H,19-26H2,1-8H3,(H,44,51)(H,45,52)(H,46,53)(H,47,54)(H,48,55)(H,49,56)/t34-,35-,36-,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]L685458 from gamma-secretase in human THP1 cells				J Biol Chem 282: 36829-36 (2007) Article DOI: 10.1074/jbc.m707002200 BindingDB Entry DOI: 10.7270/Q2X3517G
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477518 (CHEMBL436997) Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2CNN(C)C1=O Show InChI InChI=1S/C21H22F2N4O3/c1-12(25-18(28)9-13-7-15(22)10-16(23)8-13)20(29)26-19-17-6-4-3-5-14(17)11-24-27(2)21(19)30/h3-8,10,12,19,24H,9,11H2,1-2H3,(H,25,28)(H,26,29)/t12-,19?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	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))	BDBM50477525 (CHEMBL247560) Show SMILES [H][C@]1(NC(=O)[C@H](C)NC(=O)[C@H](O)c2cc(F)cc(F)c2)c2ccccc2C=NN(C)C1=O |c:28| 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	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	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))	BDBM50477514 (CHEMBL397548) Show SMILES C[C@H](NC(=O)Cc1cccc(Cl)c1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:25| Show InChI InChI=1S/C21H21ClN4O3/c1-13(24-18(27)11-14-6-5-8-16(22)10-14)20(28)25-19-17-9-4-3-7-15(17)12-23-26(2)21(19)29/h3-10,12-13,19H,11H2,1-2H3,(H,24,27)(H,25,28)/t13-,19?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	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))	BDBM50477339 (BMS-299897 | CHEMBL247471) Show SMILES C[C@@H](N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1CCCC(O)=O |r| Show InChI InChI=1S/C24H21ClF3NO4S/c1-15(21-11-7-18(26)13-16(21)3-2-4-24(30)31)29(23-14-19(27)8-12-22(23)28)34(32,33)20-9-5-17(25)6-10-20/h5-15H,2-4H2,1H3,(H,30,31)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE 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 Displacement of [3H]IN973 from gamma-secretase in human THP1 cells				J Biol Chem 282: 36829-36 (2007) Article DOI: 10.1074/jbc.m707002200 BindingDB Entry DOI: 10.7270/Q2X3517G
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477537 (CHEMBL247154) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(F)cc1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:28| Show InChI InChI=1S/C24H27FN4O3/c1-15(2)12-20(27-21(30)13-16-8-10-18(25)11-9-16)23(31)28-22-19-7-5-4-6-17(19)14-26-29(3)24(22)32/h4-11,14-15,20,22H,12-13H2,1-3H3,(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	14	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))	BDBM50477532 (CHEMBL247360) Show SMILES CC(C)C[C@H](NC(=O)CC1CCCCC1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:27| Show InChI InChI=1S/C24H34N4O3/c1-16(2)13-20(26-21(29)14-17-9-5-4-6-10-17)23(30)27-22-19-12-8-7-11-18(19)15-25-28(3)24(22)31/h7-8,11-12,15-17,20,22H,4-6,9-10,13-14H2,1-3H3,(H,26,29)(H,27,30)/t20-,22?/m0/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 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))	BDBM50477527 (CHEMBL396164) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccccc1F)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:28| Show InChI InChI=1S/C24H27FN4O3/c1-15(2)12-20(27-21(30)13-16-8-5-7-11-19(16)25)23(31)28-22-18-10-6-4-9-17(18)14-26-29(3)24(22)32/h4-11,14-15,20,22H,12-13H2,1-3H3,(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	22	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))	BDBM50477512 (CHEMBL265897) Show SMILES C[C@H](NC(=O)Cc1ccco1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:23| Show InChI InChI=1S/C19H20N4O4/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	24	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))	BDBM50477538 (CHEMBL396639) Show SMILES [H][C@@]1(NC(=O)[C@H](C)NC(=O)[C@@H](O)c2cc(F)cc(F)c2)c2ccccc2C=NN(C)C1=O |c:28| 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	PC cid PC sid UniChem	Article PubMed	n/a	n/a	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
Presenilin-1 (Homo sapiens (Human))	BDBM50477523 (CHEMBL246573) Show SMILES C[C@H](NC(=O)CC1CCCCC1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:24| Show InChI InChI=1S/C21H28N4O3/c1-14(23-18(26)12-15-8-4-3-5-9-15)20(27)24-19-17-11-7-6-10-16(17)13-22-25(2)21(19)28/h6-7,10-11,13-15,19H,3-5,8-9,12H2,1-2H3,(H,23,26)(H,24,27)/t14-,19?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	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))	BDBM50477529 (CHEMBL397843) 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	56	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))	BDBM50477510 (CHEMBL246370) Show SMILES C[C@H](NC(=O)Cc1ccc(F)cc1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:25| Show InChI InChI=1S/C21H21FN4O3/c1-13(24-18(27)11-14-7-9-16(22)10-8-14)20(28)25-19-17-6-4-3-5-15(17)12-23-26(2)21(19)29/h3-10,12-13,19H,11H2,1-2H3,(H,24,27)(H,25,28)/t13-,19?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	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))	BDBM50100434 (CHEMBL302004 | L-68458 | L-685458 | tert-butyl (2S...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C39H52N4O6/c1-26(2)21-33(37(47)41-32(35(40)45)24-29-19-13-8-14-20-29)42-36(46)30(22-27-15-9-6-10-16-27)25-34(44)31(23-28-17-11-7-12-18-28)43-38(48)49-39(3,4)5/h6-20,26,30-34,44H,21-25H2,1-5H3,(H2,40,45)(H,41,47)(H,42,46)(H,43,48)/t30-,31+,32+,33+,34-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]IN973 from gamma-secretase in human THP1 cells				J Biol Chem 282: 36829-36 (2007) Article DOI: 10.1074/jbc.m707002200 BindingDB Entry DOI: 10.7270/Q2X3517G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Presenilin-1 (Homo sapiens (Human))	BDBM50477515 (CHEMBL246371) Show SMILES C[C@H](NC(=O)Cc1cccnc1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:24| Show InChI InChI=1S/C20H21N5O3/c1-13(23-17(26)10-14-6-5-9-21-11-14)19(27)24-18-16-8-4-3-7-15(16)12-22-25(2)20(18)28/h3-9,11-13,18H,10H2,1-2H3,(H,23,26)(H,24,27)/t13-,18?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	162	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))	BDBM50477520 (CHEMBL395198) Show SMILES C[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:29| Show InChI InChI=1S/C25H24N4O3/c1-16(27-22(30)14-17-11-12-18-7-3-4-8-19(18)13-17)24(31)28-23-21-10-6-5-9-20(21)15-26-29(2)25(23)32/h3-13,15-16,23H,14H2,1-2H3,(H,27,30)(H,28,31)/t16-,23?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	269	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))	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	510	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]L685458 from gamma-secretase in human THP1 cells				J Biol Chem 282: 36829-36 (2007) Article DOI: 10.1074/jbc.m707002200 BindingDB Entry DOI: 10.7270/Q2X3517G
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477522 (CHEMBL393484) Show SMILES [H][C@@]1(NC(=O)[C@H](C)NC(=O)[C@H](O)c2cc(F)cc(F)c2)c2ccccc2C=NN(C)C1=O |c:28| 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	PC cid PC sid UniChem	Article PubMed	n/a	n/a	750	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))	BDBM209909 (US9273014, Comparative Compound 45 | US9427442, Co...) Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:13| Show InChI InChI=1S/C27H34N4O3/c1-5-11-19(24(28)32)21(16-17(2)3)26(33)30-25-27(34)31(4)22-15-10-9-14-20(22)23(29-25)18-12-7-6-8-13-18/h6-10,12-15,17,19,21,25H,5,11,16H2,1-4H3,(H2,28,32)(H,30,33)/t19-,21+,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]L685458 from gamma-secretase in human THP1 cells				J Biol Chem 282: 36829-36 (2007) Article DOI: 10.1074/jbc.m707002200 BindingDB Entry DOI: 10.7270/Q2X3517G
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50263008 (CHEMBL255473) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C43H64N6O9/c1-27(2)19-34(46-40(53)36(21-29(5)6)48-42(55)57-25-31-15-11-9-12-16-31)38(51)44-23-33(50)24-45-39(52)35(20-28(3)4)47-41(54)37(22-30(7)8)49-43(56)58-26-32-17-13-10-14-18-32/h9-18,27-30,34-37H,19-26H2,1-8H3,(H,44,51)(H,45,52)(H,46,53)(H,47,54)(H,48,55)(H,49,56)/t34-,35-,36-,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]IN973 from gamma-secretase in human THP1 cells				J Biol Chem 282: 36829-36 (2007) Article DOI: 10.1074/jbc.m707002200 BindingDB Entry DOI: 10.7270/Q2X3517G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50430241 (CHEMBL2332488) Show SMILES CN(C)CCCn1c2ccccc2c(-c2ccccc2)c(C#N)c1=O Show InChI InChI=1S/C21H21N3O/c1-23(2)13-8-14-24-19-12-7-6-11-17(19)20(18(15-22)21(24)25)16-9-4-3-5-10-16/h3-7,9-12H,8,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+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 5HT3 receptor (unknown origin)				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477339 (BMS-299897 | CHEMBL247471) Show SMILES C[C@@H](N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1CCCC(O)=O |r| Show InChI InChI=1S/C24H21ClF3NO4S/c1-15(21-11-7-18(26)13-16(21)3-2-4-24(30)31)29(23-14-19(27)8-12-22(23)28)34(32,33)20-9-5-17(25)6-10-20/h5-15H,2-4H2,1H3,(H,30,31)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]L685458 from gamma-secretase in human THP1 cells				J Biol Chem 282: 36829-36 (2007) Article DOI: 10.1074/jbc.m707002200 BindingDB Entry DOI: 10.7270/Q2X3517G
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50110164 ((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...) Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1 |t:9| Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]L685458 from gamma-secretase in human THP1 cells				J Biol Chem 282: 36829-36 (2007) Article DOI: 10.1074/jbc.m707002200 BindingDB Entry DOI: 10.7270/Q2X3517G
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50478375 (CHEBI:86193 | CHEMBL255682) Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 |r| Show InChI InChI=1S/C23H26F2N2O4/c1-14(26-19(28)12-15-10-17(24)13-18(25)11-15)21(29)27-20(16-8-6-5-7-9-16)22(30)31-23(2,3)4/h5-11,13-14,20H,12H2,1-4H3,(H,26,28)(H,27,29)/t14-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]L685458 from gamma-secretase in human THP1 cells				J Biol Chem 282: 36829-36 (2007) Article DOI: 10.1074/jbc.m707002200 BindingDB Entry DOI: 10.7270/Q2X3517G
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50110164 ((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...) Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1 |t:9| Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.32E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]IN973 from gamma-secretase in human THP1 cells				J Biol Chem 282: 36829-36 (2007) Article DOI: 10.1074/jbc.m707002200 BindingDB Entry DOI: 10.7270/Q2X3517G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430241 (CHEMBL2332488) Show SMILES CN(C)CCCn1c2ccccc2c(-c2ccccc2)c(C#N)c1=O Show InChI InChI=1S/C21H21N3O/c1-23(2)13-8-14-24-19-12-7-6-11-17(19)20(18(15-22)21(24)25)16-9-4-3-5-10-16/h3-7,9-12H,8,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430242 (CHEMBL2332481) Show SMILES CNCCCn1c2ccccc2c(-c2ccccc2)c(C#N)c1=O Show InChI InChI=1S/C20H19N3O/c1-22-12-7-13-23-18-11-6-5-10-16(18)19(17(14-21)20(23)24)15-8-3-2-4-9-15/h2-6,8-11,22H,7,12-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430243 (CHEMBL2332480) Show SMILES O=c1c(C#N)c(-c2ccccc2)c2ccccc2n1CC1CCCNC1 Show InChI InChI=1S/C22H21N3O/c23-13-19-21(17-8-2-1-3-9-17)18-10-4-5-11-20(18)25(22(19)26)15-16-7-6-12-24-14-16/h1-5,8-11,16,24H,6-7,12,14-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	460	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430246 (CHEMBL2332476) Show SMILES O=c1cc(-c2ccccc2)c2ccccc2n1CC1CN2CCC1CC2 |(72.27,-24.15,;70.94,-23.38,;70.94,-21.83,;69.6,-21.04,;69.59,-19.51,;70.93,-18.74,;70.93,-17.21,;69.6,-16.44,;68.26,-17.21,;68.27,-18.75,;68.26,-21.82,;66.92,-21.06,;65.59,-21.83,;65.59,-23.37,;66.93,-24.14,;68.25,-23.38,;69.59,-24.15,;69.59,-25.69,;68.25,-26.46,;66.93,-25.68,;65.6,-26.43,;65.58,-27.97,;66.91,-28.75,;68.26,-27.99,;67.11,-26.42,;66.35,-27.76,)| Show InChI InChI=1S/C23H24N2O/c26-23-14-21(18-6-2-1-3-7-18)20-8-4-5-9-22(20)25(23)16-19-15-24-12-10-17(19)11-13-24/h1-9,14,17,19H,10-13,15-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430247 (CHEMBL2332472) Show SMILES O=c1cc(-c2cccc3[nH]ccc23)c2ccccc2n1CC1CCCNC1 Show InChI InChI=1S/C23H23N3O/c27-23-13-20(17-7-3-8-21-18(17)10-12-25-21)19-6-1-2-9-22(19)26(23)15-16-5-4-11-24-14-16/h1-3,6-10,12-13,16,24-25H,4-5,11,14-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430248 (CHEMBL2331566) Show SMILES CC(=O)NCc1cccc(c1)-c1cc(=O)n(CC2CCCNC2)c2ccccc12 Show InChI InChI=1S/C24H27N3O2/c1-17(28)26-15-18-6-4-8-20(12-18)22-13-24(29)27(16-19-7-5-11-25-14-19)23-10-3-2-9-21(22)23/h2-4,6,8-10,12-13,19,25H,5,7,11,14-16H2,1H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair

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