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35 similar compounds to monomer 50386513

Compile data set for download or QSAR
Wt: 580.5
BDBM50386479
Wt: 601.5
BDBM50386480
Wt: 602.5
BDBM50386481
Wt: 616.5
BDBM50386482
Wt: 614.5
BDBM50386483
Wt: 628.4
BDBM50386484
Wt: 600.5
BDBM50386487
Wt: 514.6
BDBM50386500
Wt: 492.6
BDBM50386501
Wt: 478.6
BDBM50386502
Wt: 504.6
BDBM50386503
Wt: 506.6
BDBM50386504
Wt: 496.6
BDBM50386506
Wt: 514.6
BDBM50386507
Wt: 532.5
BDBM50386508
Displayed 1 to 15 (of 35 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 51 hits for monomerid = 50386479,50386480,50386481,50386482,50386483,50386484,50386487,50386500,50386501,50386502,50386503,50386504,50386506,50386507,50386508   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386508
PNG
(CHEMBL2048045)
Show SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCC(F)(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C25H32F4N2O4S/c1-24(2,3)18-6-4-5-15(8-18)11-31-20-13-36(33,34)12-17(23(20)32)7-16-9-19(26)22(30)21(10-16)35-14-25(27,28)29/h4-6,8-10,17,20,23,31-32H,7,11-14,30H2,1-3H3/t17-,20+,23+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 ectodomain after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50386487
PNG
(CHEMBL2048047)
Show SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C26H31F7N2O4S/c1-24(2,3)17-6-4-5-14(8-17)11-35-19-13-40(37,38)12-16(22(19)36)7-15-9-18(27)21(34)20(10-15)39-23(25(28,29)30)26(31,32)33/h4-6,8-10,16,19,22-23,35-36H,7,11-13,34H2,1-3H3/t16-,19+,22+/m1/s1
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n/an/a 450n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CatD using Mca-GKPILFFRLK(DNP)-dR-NH2 as substrate after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386506
PNG
(CHEMBL2048043)
Show SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCCF)c3)[C@@H]2O)c1
Show InChI InChI=1S/C25H34F2N2O4S/c1-25(2,3)19-6-4-5-16(10-19)13-29-21-15-34(31,32)14-18(24(21)30)9-17-11-20(27)23(28)22(12-17)33-8-7-26/h4-6,10-12,18,21,24,29-30H,7-9,13-15,28H2,1-3H3/t18-,21+,24+/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 ectodomain after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386487
PNG
(CHEMBL2048047)
Show SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C26H31F7N2O4S/c1-24(2,3)17-6-4-5-14(8-17)11-35-19-13-40(37,38)12-16(22(19)36)7-15-9-18(27)21(34)20(10-15)39-23(25(28,29)30)26(31,32)33/h4-6,8-10,16,19,22-23,35-36H,7,11-13,34H2,1-3H3/t16-,19+,22+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 ectodomain after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386480
PNG
(CHEMBL2048057)
Show SMILES CC(C)(C)c1ccnc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C25H30F7N3O4S/c1-23(2,3)15-4-5-34-16(9-15)10-35-18-12-40(37,38)11-14(21(18)36)6-13-7-17(26)20(33)19(8-13)39-22(24(27,28)29)25(30,31)32/h4-5,7-9,14,18,21-22,35-36H,6,10-12,33H2,1-3H3/t14-,18+,21+/m1/s1
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n/an/a 68n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 ectodomain after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386479
PNG
(CHEMBL2048056)
Show SMILES CC(C)(C)O[C@H]1C[C@@H]1CN[C@H]1CS(=O)(=O)C[C@@H](Cc2cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c2)[C@@H]1O
Show InChI InChI=1S/C23H31F7N2O5S/c1-21(2,3)37-16-7-12(16)8-32-15-10-38(34,35)9-13(19(15)33)4-11-5-14(24)18(31)17(6-11)36-20(22(25,26)27)23(28,29)30/h5-6,12-13,15-16,19-20,32-33H,4,7-10,31H2,1-3H3/t12-,13-,15+,16+,19+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 ectodomain after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386484
PNG
(CHEMBL2048061)
Show SMILES Nc1c(F)cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(OC(F)(F)F)c3)[C@H]2O)cc1OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22F10N2O5S/c24-15-6-12(7-17(18(15)34)39-20(21(25,26)27)22(28,29)30)4-13-9-41(37,38)10-16(19(13)36)35-8-11-2-1-3-14(5-11)40-23(31,32)33/h1-3,5-7,13,16,19-20,35-36H,4,8-10,34H2/t13-,16+,19+/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 ectodomain after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386483
PNG
(CHEMBL2048060)
Show SMILES CC1(C)OCc2ccc(CN[C@H]3CS(=O)(=O)C[C@@H](Cc4cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c4)[C@@H]3O)cc12
Show InChI InChI=1S/C26H29F7N2O5S/c1-24(2)17-6-13(3-4-15(17)10-39-24)9-35-19-12-41(37,38)11-16(22(19)36)5-14-7-18(27)21(34)20(8-14)40-23(25(28,29)30)26(31,32)33/h3-4,6-8,16,19,22-23,35-36H,5,9-12,34H2,1-2H3/t16-,19+,22+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 ectodomain after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386482
PNG
(CHEMBL2048059)
Show SMILES CC(C)(CO)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C26H31F7N2O5S/c1-24(2,13-36)17-5-3-4-14(7-17)10-35-19-12-41(38,39)11-16(22(19)37)6-15-8-18(27)21(34)20(9-15)40-23(25(28,29)30)26(31,32)33/h3-5,7-9,16,19,22-23,35-37H,6,10-13,34H2,1-2H3/t16-,19+,22+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 ectodomain after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386481
PNG
(CHEMBL2048058)
Show SMILES CC(C)(O)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C25H29F7N2O5S/c1-23(2,36)16-5-3-4-13(7-16)10-34-18-12-40(37,38)11-15(21(18)35)6-14-8-17(26)20(33)19(9-14)39-22(24(27,28)29)25(30,31)32/h3-5,7-9,15,18,21-22,34-36H,6,10-12,33H2,1-2H3/t15-,18+,21+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 ectodomain after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386502
PNG
(CHEMBL2048039)
Show SMILES CCOc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N
Show InChI InChI=1S/C25H35FN2O4S/c1-5-32-22-12-17(11-20(26)23(22)27)9-18-14-33(30,31)15-21(24(18)29)28-13-16-7-6-8-19(10-16)25(2,3)4/h6-8,10-12,18,21,24,28-29H,5,9,13-15,27H2,1-4H3/t18-,21+,24+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 ectodomain after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386501
PNG
(CHEMBL2048038)
Show SMILES CCCOc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N
Show InChI InChI=1S/C26H37FN2O4S/c1-5-9-33-23-13-18(12-21(27)24(23)28)10-19-15-34(31,32)16-22(25(19)30)29-14-17-7-6-8-20(11-17)26(2,3)4/h6-8,11-13,19,22,25,29-30H,5,9-10,14-16,28H2,1-4H3/t19-,22+,25+/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 ectodomain after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386500
PNG
(CHEMBL2048037)
Show SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)c(OCC(F)(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C25H33F3N2O4S/c1-24(2,3)19-6-4-5-17(10-19)12-30-21-14-35(32,33)13-18(23(21)31)9-16-7-8-20(29)22(11-16)34-15-25(26,27)28/h4-8,10-11,18,21,23,30-31H,9,12-15,29H2,1-3H3/t18-,21+,23+/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 ectodomain after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386504
PNG
(CHEMBL2048041)
Show SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC4COC4)c3)[C@@H]2O)c1
Show InChI InChI=1S/C26H35FN2O5S/c1-26(2,3)19-6-4-5-16(8-19)11-29-22-15-35(31,32)14-18(25(22)30)7-17-9-21(27)24(28)23(10-17)34-20-12-33-13-20/h4-6,8-10,18,20,22,25,29-30H,7,11-15,28H2,1-3H3/t18-,22+,25+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 ectodomain after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386503
PNG
(CHEMBL2048040)
Show SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC4CCC4)c3)[C@@H]2O)c1
Show InChI InChI=1S/C27H37FN2O4S/c1-27(2,3)20-7-4-6-17(11-20)14-30-23-16-35(32,33)15-19(26(23)31)10-18-12-22(28)25(29)24(13-18)34-21-8-5-9-21/h4,6-7,11-13,19,21,23,26,30-31H,5,8-10,14-16,29H2,1-3H3/t19-,23+,26+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 ectodomain after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386508
PNG
(CHEMBL2048045)
Show SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCC(F)(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C25H32F4N2O4S/c1-24(2,3)18-6-4-5-15(8-18)11-31-20-13-36(33,34)12-17(23(20)32)7-16-9-19(26)22(30)21(10-16)35-14-25(27,28)29/h4-6,8-10,17,20,23,31-32H,7,11-14,30H2,1-3H3/t17-,20+,23+/m1/s1
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n/an/a 116n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 mediated amyloid beta 40 release in human wild type APP-transfected CHO cells by HTRF immunoassay


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386487
PNG
(CHEMBL2048047)
Show SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C26H31F7N2O4S/c1-24(2,3)17-6-4-5-14(8-17)11-35-19-13-40(37,38)12-16(22(19)36)7-15-9-18(27)21(34)20(10-15)39-23(25(28,29)30)26(31,32)33/h4-6,8-10,16,19,22-23,35-36H,7,11-13,34H2,1-3H3/t16-,19+,22+/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 mediated amyloid beta 40 release in human wild type APP-transfected CHO cells by HTRF immunoassay


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386506
PNG
(CHEMBL2048043)
Show SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCCF)c3)[C@@H]2O)c1
Show InChI InChI=1S/C25H34F2N2O4S/c1-25(2,3)19-6-4-5-16(10-19)13-29-21-15-34(31,32)14-18(24(21)30)9-17-11-20(27)23(28)22(12-17)33-8-7-26/h4-6,10-12,18,21,24,29-30H,7-9,13-15,28H2,1-3H3/t18-,21+,24+/m1/s1
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n/an/a 225n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 mediated amyloid beta 40 release in human wild type APP-transfected CHO cells by HTRF immunoassay


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386507
PNG
(CHEMBL2048044)
Show SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCC(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C25H33F3N2O4S/c1-25(2,3)18-6-4-5-15(8-18)11-30-20-14-35(32,33)13-17(24(20)31)7-16-9-19(26)23(29)21(10-16)34-12-22(27)28/h4-6,8-10,17,20,22,24,30-31H,7,11-14,29H2,1-3H3/t17-,20+,24+/m1/s1
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n/an/a 72n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 mediated amyloid beta 40 release in human wild type APP-transfected CHO cells by HTRF immunoassay


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386483
PNG
(CHEMBL2048060)
Show SMILES CC1(C)OCc2ccc(CN[C@H]3CS(=O)(=O)C[C@@H](Cc4cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c4)[C@@H]3O)cc12
Show InChI InChI=1S/C26H29F7N2O5S/c1-24(2)17-6-13(3-4-15(17)10-39-24)9-35-19-12-41(37,38)11-16(22(19)36)5-14-7-18(27)21(34)20(8-14)40-23(25(28,29)30)26(31,32)33/h3-4,6-8,16,19,22-23,35-36H,5,9-12,34H2,1-2H3/t16-,19+,22+/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 mediated amyloid beta 40 release in human wild type APP-transfected CHO cells by HTRF immunoassay


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386484
PNG
(CHEMBL2048061)
Show SMILES Nc1c(F)cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(OC(F)(F)F)c3)[C@H]2O)cc1OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22F10N2O5S/c24-15-6-12(7-17(18(15)34)39-20(21(25,26)27)22(28,29)30)4-13-9-41(37,38)10-16(19(13)36)35-8-11-2-1-3-14(5-11)40-23(31,32)33/h1-3,5-7,13,16,19-20,35-36H,4,8-10,34H2/t13-,16+,19+/m1/s1
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n/an/a 950n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 mediated amyloid beta 40 release in human wild type APP-transfected CHO cells by HTRF immunoassay


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386480
PNG
(CHEMBL2048057)
Show SMILES CC(C)(C)c1ccnc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C25H30F7N3O4S/c1-23(2,3)15-4-5-34-16(9-15)10-35-18-12-40(37,38)11-14(21(18)36)6-13-7-17(26)20(33)19(8-13)39-22(24(27,28)29)25(30,31)32/h4-5,7-9,14,18,21-22,35-36H,6,10-12,33H2,1-3H3/t14-,18+,21+/m1/s1
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n/an/a 370n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 mediated amyloid beta 40 release in human wild type APP-transfected CHO cells by HTRF immunoassay


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386481
PNG
(CHEMBL2048058)
Show SMILES CC(C)(O)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C25H29F7N2O5S/c1-23(2,36)16-5-3-4-13(7-16)10-34-18-12-40(37,38)11-15(21(18)35)6-14-8-17(26)20(33)19(9-14)39-22(24(27,28)29)25(30,31)32/h3-5,7-9,15,18,21-22,34-36H,6,10-12,33H2,1-2H3/t15-,18+,21+/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 mediated amyloid beta 40 release in human wild type APP-transfected CHO cells by HTRF immunoassay


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386482
PNG
(CHEMBL2048059)
Show SMILES CC(C)(CO)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C26H31F7N2O5S/c1-24(2,13-36)17-5-3-4-14(7-17)10-35-19-12-41(38,39)11-16(22(19)37)6-15-8-18(27)21(34)20(9-15)40-23(25(28,29)30)26(31,32)33/h3-5,7-9,16,19,22-23,35-37H,6,10-13,34H2,1-2H3/t16-,19+,22+/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 mediated amyloid beta 40 release in human wild type APP-transfected CHO cells by HTRF immunoassay


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386501
PNG
(CHEMBL2048038)
Show SMILES CCCOc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N
Show InChI InChI=1S/C26H37FN2O4S/c1-5-9-33-23-13-18(12-21(27)24(23)28)10-19-15-34(31,32)16-22(25(19)30)29-14-17-7-6-8-20(11-17)26(2,3)4/h6-8,11-13,19,22,25,29-30H,5,9-10,14-16,28H2,1-4H3/t19-,22+,25+/m1/s1
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n/an/a 424n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 mediated amyloid beta 40 release in human wild type APP-transfected CHO cells by HTRF immunoassay


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386502
PNG
(CHEMBL2048039)
Show SMILES CCOc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N
Show InChI InChI=1S/C25H35FN2O4S/c1-5-32-22-12-17(11-20(26)23(22)27)9-18-14-33(30,31)15-21(24(18)29)28-13-16-7-6-8-19(10-16)25(2,3)4/h6-8,10-12,18,21,24,28-29H,5,9,13-15,27H2,1-4H3/t18-,21+,24+/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 mediated amyloid beta 40 release in human wild type APP-transfected CHO cells by HTRF immunoassay


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386503
PNG
(CHEMBL2048040)
Show SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC4CCC4)c3)[C@@H]2O)c1
Show InChI InChI=1S/C27H37FN2O4S/c1-27(2,3)20-7-4-6-17(11-20)14-30-23-16-35(32,33)15-19(26(23)31)10-18-12-22(28)25(29)24(13-18)34-21-8-5-9-21/h4,6-7,11-13,19,21,23,26,30-31H,5,8-10,14-16,29H2,1-3H3/t19-,23+,26+/m1/s1
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n/an/a 215n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 mediated amyloid beta 40 release in human wild type APP-transfected CHO cells by HTRF immunoassay


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386504
PNG
(CHEMBL2048041)
Show SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC4COC4)c3)[C@@H]2O)c1
Show InChI InChI=1S/C26H35FN2O5S/c1-26(2,3)19-6-4-5-16(8-19)11-29-22-15-35(31,32)14-18(25(22)30)7-17-9-21(27)24(28)23(10-17)34-20-12-33-13-20/h4-6,8-10,18,20,22,25,29-30H,7,11-15,28H2,1-3H3/t18-,22+,25+/m1/s1
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n/an/a 118n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 mediated amyloid beta 40 release in human wild type APP-transfected CHO cells by HTRF immunoassay


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50386500
PNG
(CHEMBL2048037)
Show SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)c(OCC(F)(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C25H33F3N2O4S/c1-24(2,3)19-6-4-5-17(10-19)12-30-21-14-35(32,33)13-18(23(21)31)9-16-7-8-20(29)22(11-16)34-15-25(26,27)28/h4-8,10-11,18,21,23,30-31H,9,12-15,29H2,1-3H3/t18-,21+,23+/m1/s1
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n/an/a 310n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 mediated amyloid beta 40 release in human wild type APP-transfected CHO cells by HTRF immunoassay


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50386487
PNG
(CHEMBL2048047)
Show SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C26H31F7N2O4S/c1-24(2,3)17-6-4-5-14(8-17)11-35-19-13-40(37,38)12-16(22(19)36)7-15-9-18(27)21(34)20(10-15)39-23(25(28,29)30)26(31,32)33/h4-6,8-10,16,19,22-23,35-36H,7,11-13,34H2,1-3H3/t16-,19+,22+/m1/s1
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n/an/a 450n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin-D


Bioorg Med Chem Lett 23: 5300-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.071
BindingDB Entry DOI: 10.7270/Q2GT5PK1
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50386479
PNG
(CHEMBL2048056)
Show SMILES CC(C)(C)O[C@H]1C[C@@H]1CN[C@H]1CS(=O)(=O)C[C@@H](Cc2cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c2)[C@@H]1O
Show InChI InChI=1S/C23H31F7N2O5S/c1-21(2,3)37-16-7-12(16)8-32-15-10-38(34,35)9-13(19(15)33)4-11-5-14(24)18(31)17(6-11)36-20(22(25,26)27)23(28,29)30/h5-6,12-13,15-16,19-20,32-33H,4,7-10,31H2,1-3H3/t12-,13-,15+,16+,19+/m1/s1
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n/an/a 3.71E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CatD using Mca-GKPILFFRLK(DNP)-dR-NH2 as substrate after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50386480
PNG
(CHEMBL2048057)
Show SMILES CC(C)(C)c1ccnc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C25H30F7N3O4S/c1-23(2,3)15-4-5-34-16(9-15)10-35-18-12-40(37,38)11-14(21(18)36)6-13-7-17(26)20(33)19(8-13)39-22(24(27,28)29)25(30,31)32/h4-5,7-9,14,18,21-22,35-36H,6,10-12,33H2,1-3H3/t14-,18+,21+/m1/s1
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n/an/a 3.07E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CatD using Mca-GKPILFFRLK(DNP)-dR-NH2 as substrate after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50386481
PNG
(CHEMBL2048058)
Show SMILES CC(C)(O)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C25H29F7N2O5S/c1-23(2,36)16-5-3-4-13(7-16)10-34-18-12-40(37,38)11-15(21(18)35)6-14-8-17(26)20(33)19(9-14)39-22(24(27,28)29)25(30,31)32/h3-5,7-9,15,18,21-22,34-36H,6,10-12,33H2,1-2H3/t15-,18+,21+/m1/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CatD using Mca-GKPILFFRLK(DNP)-dR-NH2 as substrate after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50386482
PNG
(CHEMBL2048059)
Show SMILES CC(C)(CO)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C26H31F7N2O5S/c1-24(2,13-36)17-5-3-4-14(7-17)10-35-19-12-41(38,39)11-16(22(19)37)6-15-8-18(27)21(34)20(9-15)40-23(25(28,29)30)26(31,32)33/h3-5,7-9,16,19,22-23,35-37H,6,10-13,34H2,1-2H3/t16-,19+,22+/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CatD using Mca-GKPILFFRLK(DNP)-dR-NH2 as substrate after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50386483
PNG
(CHEMBL2048060)
Show SMILES CC1(C)OCc2ccc(CN[C@H]3CS(=O)(=O)C[C@@H](Cc4cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c4)[C@@H]3O)cc12
Show InChI InChI=1S/C26H29F7N2O5S/c1-24(2)17-6-13(3-4-15(17)10-39-24)9-35-19-12-41(37,38)11-16(22(19)36)5-14-7-18(27)21(34)20(8-14)40-23(25(28,29)30)26(31,32)33/h3-4,6-8,16,19,22-23,35-36H,5,9-12,34H2,1-2H3/t16-,19+,22+/m1/s1
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n/an/a 1.51E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CatD using Mca-GKPILFFRLK(DNP)-dR-NH2 as substrate after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50386484
PNG
(CHEMBL2048061)
Show SMILES Nc1c(F)cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(OC(F)(F)F)c3)[C@H]2O)cc1OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22F10N2O5S/c24-15-6-12(7-17(18(15)34)39-20(21(25,26)27)22(28,29)30)4-13-9-41(37,38)10-16(19(13)36)35-8-11-2-1-3-14(5-11)40-23(31,32)33/h1-3,5-7,13,16,19-20,35-36H,4,8-10,34H2/t13-,16+,19+/m1/s1
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n/an/a 2.53E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CatD using Mca-GKPILFFRLK(DNP)-dR-NH2 as substrate after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50386480
PNG
(CHEMBL2048057)
Show SMILES CC(C)(C)c1ccnc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C25H30F7N3O4S/c1-23(2,3)15-4-5-34-16(9-15)10-35-18-12-40(37,38)11-14(21(18)36)6-13-7-17(26)20(33)19(8-13)39-22(24(27,28)29)25(30,31)32/h4-5,7-9,14,18,21-22,35-36H,6,10-12,33H2,1-3H3/t14-,18+,21+/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50386481
PNG
(CHEMBL2048058)
Show SMILES CC(C)(O)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C25H29F7N2O5S/c1-23(2,36)16-5-3-4-13(7-16)10-34-18-12-40(37,38)11-15(21(18)35)6-14-8-17(26)20(33)19(9-14)39-22(24(27,28)29)25(30,31)32/h3-5,7-9,15,18,21-22,34-36H,6,10-12,33H2,1-2H3/t15-,18+,21+/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50386482
PNG
(CHEMBL2048059)
Show SMILES CC(C)(CO)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C26H31F7N2O5S/c1-24(2,13-36)17-5-3-4-14(7-17)10-35-19-12-41(38,39)11-16(22(19)37)6-15-8-18(27)21(34)20(9-15)40-23(25(28,29)30)26(31,32)33/h3-5,7-9,16,19,22-23,35-37H,6,10-13,34H2,1-2H3/t16-,19+,22+/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50386483
PNG
(CHEMBL2048060)
Show SMILES CC1(C)OCc2ccc(CN[C@H]3CS(=O)(=O)C[C@@H](Cc4cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c4)[C@@H]3O)cc12
Show InChI InChI=1S/C26H29F7N2O5S/c1-24(2)17-6-13(3-4-15(17)10-39-24)9-35-19-12-41(37,38)11-16(22(19)36)5-14-7-18(27)21(34)20(8-14)40-23(25(28,29)30)26(31,32)33/h3-4,6-8,16,19,22-23,35-36H,5,9-12,34H2,1-2H3/t16-,19+,22+/m1/s1
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n/an/a 700n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50386484
PNG
(CHEMBL2048061)
Show SMILES Nc1c(F)cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(OC(F)(F)F)c3)[C@H]2O)cc1OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22F10N2O5S/c24-15-6-12(7-17(18(15)34)39-20(21(25,26)27)22(28,29)30)4-13-9-41(37,38)10-16(19(13)36)35-8-11-2-1-3-14(5-11)40-23(31,32)33/h1-3,5-7,13,16,19-20,35-36H,4,8-10,34H2/t13-,16+,19+/m1/s1
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n/an/a 9.20E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50386487
PNG
(CHEMBL2048047)
Show SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C26H31F7N2O4S/c1-24(2,3)17-6-4-5-14(8-17)11-35-19-13-40(37,38)12-16(22(19)36)7-15-9-18(27)21(34)20(10-15)39-23(25(28,29)30)26(31,32)33/h4-6,8-10,16,19,22-23,35-36H,7,11-13,34H2,1-3H3/t16-,19+,22+/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50386500
PNG
(CHEMBL2048037)
Show SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)c(OCC(F)(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C25H33F3N2O4S/c1-24(2,3)19-6-4-5-17(10-19)12-30-21-14-35(32,33)13-18(23(21)31)9-16-7-8-20(29)22(11-16)34-15-25(26,27)28/h4-8,10-11,18,21,23,30-31H,9,12-15,29H2,1-3H3/t18-,21+,23+/m1/s1
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n/an/a 4.37E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CatD using Mca-GKPILFFRLK(DNP)-dR-NH2 as substrate after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50386501
PNG
(CHEMBL2048038)
Show SMILES CCCOc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N
Show InChI InChI=1S/C26H37FN2O4S/c1-5-9-33-23-13-18(12-21(27)24(23)28)10-19-15-34(31,32)16-22(25(19)30)29-14-17-7-6-8-20(11-17)26(2,3)4/h6-8,11-13,19,22,25,29-30H,5,9-10,14-16,28H2,1-4H3/t19-,22+,25+/m1/s1
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n/an/a 2.22E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CatD using Mca-GKPILFFRLK(DNP)-dR-NH2 as substrate after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50386502
PNG
(CHEMBL2048039)
Show SMILES CCOc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N
Show InChI InChI=1S/C25H35FN2O4S/c1-5-32-22-12-17(11-20(26)23(22)27)9-18-14-33(30,31)15-21(24(18)29)28-13-16-7-6-8-19(10-16)25(2,3)4/h6-8,10-12,18,21,24,28-29H,5,9,13-15,27H2,1-4H3/t18-,21+,24+/m1/s1
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n/an/a 1.03E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CatD using Mca-GKPILFFRLK(DNP)-dR-NH2 as substrate after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50386503
PNG
(CHEMBL2048040)
Show SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC4CCC4)c3)[C@@H]2O)c1
Show InChI InChI=1S/C27H37FN2O4S/c1-27(2,3)20-7-4-6-17(11-20)14-30-23-16-35(32,33)15-19(26(23)31)10-18-12-22(28)25(29)24(13-18)34-21-8-5-9-21/h4,6-7,11-13,19,21,23,26,30-31H,5,8-10,14-16,29H2,1-3H3/t19-,23+,26+/m1/s1
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n/an/a 390n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CatD using Mca-GKPILFFRLK(DNP)-dR-NH2 as substrate after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50386504
PNG
(CHEMBL2048041)
Show SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC4COC4)c3)[C@@H]2O)c1
Show InChI InChI=1S/C26H35FN2O5S/c1-26(2,3)19-6-4-5-16(8-19)11-29-22-15-35(31,32)14-18(25(22)30)7-17-9-21(27)24(28)23(10-17)34-20-12-33-13-20/h4-6,8-10,18,20,22,25,29-30H,7,11-15,28H2,1-3H3/t18-,22+,25+/m1/s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CatD using Mca-GKPILFFRLK(DNP)-dR-NH2 as substrate after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50386506
PNG
(CHEMBL2048043)
Show SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCCF)c3)[C@@H]2O)c1
Show InChI InChI=1S/C25H34F2N2O4S/c1-25(2,3)19-6-4-5-16(10-19)13-29-21-15-34(31,32)14-18(24(21)30)9-17-11-20(27)23(28)22(12-17)33-8-7-26/h4-6,10-12,18,21,24,29-30H,7-9,13-15,28H2,1-3H3/t18-,21+,24+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CatD using Mca-GKPILFFRLK(DNP)-dR-NH2 as substrate after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50386507
PNG
(CHEMBL2048044)
Show SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCC(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C25H33F3N2O4S/c1-25(2,3)18-6-4-5-15(8-18)11-30-20-14-35(32,33)13-17(24(20)31)7-16-9-19(26)23(29)21(10-16)34-12-22(27)28/h4-6,8-10,17,20,22,24,30-31H,7,11-14,29H2,1-3H3/t17-,20+,24+/m1/s1
PDB
MMDB

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n/an/a 680n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CatD using Mca-GKPILFFRLK(DNP)-dR-NH2 as substrate after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50386508
PNG
(CHEMBL2048045)
Show SMILES CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCC(F)(F)F)c3)[C@@H]2O)c1
Show InChI InChI=1S/C25H32F4N2O4S/c1-24(2,3)18-6-4-5-15(8-18)11-31-20-13-36(33,34)12-17(23(20)32)7-16-9-19(26)22(30)21(10-16)35-14-25(27,28)29/h4-6,8-10,17,20,23,31-32H,7,11-14,30H2,1-3H3/t17-,20+,23+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 690n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CatD using Mca-GKPILFFRLK(DNP)-dR-NH2 as substrate after 1 hr by fluorescence analysis


J Med Chem 55: 3364-86 (2012)


Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW
More data for this
Ligand-Target Pair
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