Compile Data Set for Download or QSAR

Found 9 hits of ki data for polymerid = 1671,1712,4009,50006601,50007155   

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
Beta-secretase 1 [22-454] (Homo sapiens (Human))	BDBM16292 (3-N-[(2S,3S,5R)-3-amino-5-[(4-fluorophenyl)carbamo...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)C[C@@H](C)C(=O)Nc1ccc(F)cc1 |r| Show InChI InChI=1S/C33H41FN4O3/c1-4-18-38(19-5-2)33(41)26-13-9-12-25(22-26)32(40)37-30(21-24-10-7-6-8-11-24)29(35)20-23(3)31(39)36-28-16-14-27(34)15-17-28/h6-17,22-23,29-30H,4-5,18-21,35H2,1-3H3,(H,36,39)(H,37,40)/t23-,29+,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	26	-42.9	n/a	n/a	n/a	n/a	n/a	4.5	22
Sunesis					Assay Description Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ...				J Med Chem 49: 839-42 (2006) Article DOI: 10.1021/jm0509142 BindingDB Entry DOI: 10.7270/Q2PV6HM0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 [22-454] (Homo sapiens (Human))	BDBM16291 (3-N-[(2S,3S,5R)-3-amino-5-{[(1S)-1-(benzylcarbamoy...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C39H53N5O4/c1-6-21-44(22-7-2)39(48)32-20-14-19-31(25-32)37(46)42-34(24-29-15-10-8-11-16-29)33(40)23-28(5)36(45)43-35(27(3)4)38(47)41-26-30-17-12-9-13-18-30/h8-20,25,27-28,33-35H,6-7,21-24,26,40H2,1-5H3,(H,41,47)(H,42,46)(H,43,45)/t28-,33+,34+,35+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	33	-42.3	n/a	n/a	n/a	n/a	n/a	4.5	22
Sunesis					Assay Description Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ...				J Med Chem 49: 839-42 (2006) Article DOI: 10.1021/jm0509142 BindingDB Entry DOI: 10.7270/Q2PV6HM0
					More data for this Ligand-Target Pair
Beta-secretase 1 [22-454] (Homo sapiens (Human))	BDBM16286 (3-N-[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-met...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C36H54N4O5/c1-8-18-40(19-9-2)36(45)29-17-13-16-28(22-29)34(43)38-30(20-24(3)4)31(41)21-26(7)33(42)39-32(25(5)6)35(44)37-23-27-14-11-10-12-15-27/h10-17,22,24-26,30-32,41H,8-9,18-21,23H2,1-7H3,(H,37,44)(H,38,43)(H,39,42)/t26-,30+,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	71	-40.4	n/a	n/a	n/a	n/a	n/a	4.5	22
Sunesis					Assay Description Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ...				J Med Chem 49: 839-42 (2006) Article DOI: 10.1021/jm0509142 BindingDB Entry DOI: 10.7270/Q2PV6HM0
					More data for this Ligand-Target Pair
Beta-secretase 1 [22-454] (Homo sapiens (Human))	BDBM16287 (3-N-[(1R,3S,4S)-3-amino-1-{[(1S)-1-(benzylcarbamoy...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](N)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C36H55N5O4/c1-8-18-41(19-9-2)36(45)29-17-13-16-28(22-29)34(43)39-31(20-24(3)4)30(37)21-26(7)33(42)40-32(25(5)6)35(44)38-23-27-14-11-10-12-15-27/h10-17,22,24-26,30-32H,8-9,18-21,23,37H2,1-7H3,(H,38,44)(H,39,43)(H,40,42)/t26-,30+,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	120	-39.1	n/a	n/a	n/a	n/a	n/a	4.5	22
Sunesis					Assay Description Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ...				J Med Chem 49: 839-42 (2006) Article DOI: 10.1021/jm0509142 BindingDB Entry DOI: 10.7270/Q2PV6HM0
					More data for this Ligand-Target Pair
Beta-secretase 1 [22-454] (Homo sapiens (Human))	BDBM16289 (3-N-[(1R,3S,4S)-1-[(4-fluorophenyl)carbamoyl]-3-hy...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)Nc1ccc(F)cc1 |r| Show InChI InChI=1S/C30H42FN3O4/c1-6-15-34(16-7-2)30(38)23-10-8-9-22(19-23)29(37)33-26(17-20(3)4)27(35)18-21(5)28(36)32-25-13-11-24(31)12-14-25/h8-14,19-21,26-27,35H,6-7,15-18H2,1-5H3,(H,32,36)(H,33,37)/t21-,26+,27+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	-33.3	n/a	n/a	n/a	n/a	n/a	4.5	22
Sunesis					Assay Description Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ...				J Med Chem 49: 839-42 (2006) Article DOI: 10.1021/jm0509142 BindingDB Entry DOI: 10.7270/Q2PV6HM0
					More data for this Ligand-Target Pair
Beta-secretase 1 [22-454] (Homo sapiens (Human))	BDBM16290 (3-N-[(1R,3S,4S)-3-amino-1-[(4-fluorophenyl)carbamo...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](N)C[C@@H](C)C(=O)Nc1ccc(F)cc1 |r| Show InChI InChI=1S/C30H43FN4O3/c1-6-15-35(16-7-2)30(38)23-10-8-9-22(19-23)29(37)34-27(17-20(3)4)26(32)18-21(5)28(36)33-25-13-11-24(31)12-14-25/h8-14,19-21,26-27H,6-7,15-18,32H2,1-5H3,(H,33,36)(H,34,37)/t21-,26+,27+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.00E+3	-31.2	n/a	n/a	n/a	n/a	n/a	4.5	22
Sunesis					Assay Description Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ...				J Med Chem 49: 839-42 (2006) Article DOI: 10.1021/jm0509142 BindingDB Entry DOI: 10.7270/Q2PV6HM0
					More data for this Ligand-Target Pair
Beta-secretase 1 [22-454] (Homo sapiens (Human))	BDBM16288 (3-N-[(1R,3R,4S)-3-amino-1-{[(1S)-1-(benzylcarbamoy...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](CC(C)C)[C@H](N)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C36H55N5O4/c1-8-18-41(19-9-2)36(45)29-17-13-16-28(22-29)34(43)39-31(20-24(3)4)30(37)21-26(7)33(42)40-32(25(5)6)35(44)38-23-27-14-11-10-12-15-27/h10-17,22,24-26,30-32H,8-9,18-21,23,37H2,1-7H3,(H,38,44)(H,39,43)(H,40,42)/t26-,30-,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.13E+4	-28.0	n/a	n/a	n/a	n/a	n/a	4.5	22
Sunesis					Assay Description Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ...				J Med Chem 49: 839-42 (2006) Article DOI: 10.1021/jm0509142 BindingDB Entry DOI: 10.7270/Q2PV6HM0
					More data for this Ligand-Target Pair
Beta-secretase 1 [22-457] (Homo sapiens (Human))	BDBM32389 (phenyl-substituted sulfonamides, 6f) Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CCCNCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1)Cc1ccccc1 Show InChI InChI=1S/C32H39N5O4S2/c33-29-13-17-31(18-14-29)42(38,39)36(25-27-9-3-1-4-10-27)23-7-21-35-22-8-24-37(26-28-11-5-2-6-12-28)43(40,41)32-19-15-30(34)16-20-32/h1-6,9-20,35H,7-8,21-26,33-34H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.40E+4	-23.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair
Beta-secretase 1 [22-457] (Homo sapiens (Human))	BDBM32386 (phenyl-substituted sulfonamides, 6c) Show SMILES O=S(=O)(N(CCCNCCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H37N3O4S2/c36-40(37,31-19-9-3-10-20-31)34(27-29-15-5-1-6-16-29)25-13-23-33-24-14-26-35(28-30-17-7-2-8-18-30)41(38,39)32-21-11-4-12-22-32/h1-12,15-22,33H,13-14,23-28H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.50E+5	-21.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
					More data for this Ligand-Target Pair