Found 61 hits of Enzyme Inhibition Constant Data 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
(Homo sapiens (Human)) | BDBM50036596
(CHEMBL3354260)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccc(cc2)C#N)C1=O |r| Show InChI InChI=1S/C27H38N6O2/c1-33-24(34)27(32-25(33)29,15-14-19-6-3-2-4-7-19)17-21-8-5-9-23(16-21)31-26(35)30-22-12-10-20(18-28)11-13-22/h10-13,19,21,23H,2-9,14-17H2,1H3,(H2,29,32)(H2,30,31,35)/t21-,23+,27+/m0/s1 | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036602
(CHEMBL3354257)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccc(Cl)cc2)C1=O |r| Show InChI InChI=1S/C26H38ClN5O2/c1-32-23(33)26(31-24(32)28,15-14-18-6-3-2-4-7-18)17-19-8-5-9-22(16-19)30-25(34)29-21-12-10-20(27)11-13-21/h10-13,18-19,22H,2-9,14-17H2,1H3,(H2,28,31)(H2,29,30,34)/t19-,22+,26+/m0/s1 | PDB
MMDB
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PC sid
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| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036606
(CHEMBL3354259)Show SMILES COc1ccc(NC(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)NC(=N)N(C)C3=O)C2)cc1 |r| Show InChI InChI=1S/C27H41N5O3/c1-32-24(33)27(31-25(32)28,16-15-19-7-4-3-5-8-19)18-20-9-6-10-22(17-20)30-26(34)29-21-11-13-23(35-2)14-12-21/h11-14,19-20,22H,3-10,15-18H2,1-2H3,(H2,28,31)(H2,29,30,34)/t20-,22+,27+/m0/s1 | PDB
MMDB
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PC cid
PC sid
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| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036597
(CHEMBL3354263)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2cnc3ccccc3n2)C1=O |r| Show InChI InChI=1S/C28H39N7O2/c1-35-25(36)28(34-26(35)29,15-14-19-8-3-2-4-9-19)17-20-10-7-11-21(16-20)31-27(37)33-24-18-30-22-12-5-6-13-23(22)32-24/h5-6,12-13,18-21H,2-4,7-11,14-17H2,1H3,(H2,29,34)(H2,31,32,33,37)/t20-,21+,28+/m0/s1 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036582
(CHEMBL3354255)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccccc2)C1=O |r| Show InChI InChI=1S/C26H39N5O2/c1-31-23(32)26(30-24(31)27,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)29-25(33)28-21-12-6-3-7-13-21/h3,6-7,12-13,19-20,22H,2,4-5,8-11,14-18H2,1H3,(H2,27,30)(H2,28,29,33)/t20-,22+,26+/m0/s1 | PDB
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PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036600
(CHEMBL3354262)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccc3ccccc3n2)C1=O |r| Show InChI InChI=1S/C29H40N6O2/c1-35-26(36)29(34-27(35)30,17-16-20-8-3-2-4-9-20)19-21-10-7-12-23(18-21)31-28(37)33-25-15-14-22-11-5-6-13-24(22)32-25/h5-6,11,13-15,20-21,23H,2-4,7-10,12,16-19H2,1H3,(H2,30,34)(H2,31,32,33,37)/t21-,23+,29+/m0/s1 | PDB
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036587
(CHEMBL1231280)Show SMILES CCC[C@H]1CN(Cc2ccc(CN3C(=N)N[C@](CCC4CCCCC4)(CC4CCCCC4)C3=O)cc2)C(=O)N1 |r| Show InChI InChI=1S/C32H49N5O2/c1-2-9-28-23-36(31(39)34-28)21-26-14-16-27(17-15-26)22-37-29(38)32(35-30(37)33,20-25-12-7-4-8-13-25)19-18-24-10-5-3-6-11-24/h14-17,24-25,28H,2-13,18-23H2,1H3,(H2,33,35)(H,34,39)/t28-,32+/m0/s1 | PDB
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Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036571
(CHEMBL3354253)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)c2ccncc2)C1=O |r| Show InChI InChI=1S/C25H37N5O2/c1-30-23(32)25(29-24(30)26,13-10-18-6-3-2-4-7-18)17-19-8-5-9-21(16-19)28-22(31)20-11-14-27-15-12-20/h11-12,14-15,18-19,21H,2-10,13,16-17H2,1H3,(H2,26,29)(H,28,31)/t19-,21+,25+/m0/s1 | PDB
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| PDB
Article
PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036576
(CHEMBL3354252)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)c2ccccc2)C1=O |r| Show InChI InChI=1S/C26H38N4O2/c1-30-24(32)26(29-25(30)27,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)28-23(31)21-12-6-3-7-13-21/h3,6-7,12-13,19-20,22H,2,4-5,8-11,14-18H2,1H3,(H2,27,29)(H,28,31)/t20-,22+,26+/m0/s1 | PDB
MMDB
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| CHEMBL
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PC sid
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| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036594
(CHEMBL3354261)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)NC2CCCCC2)C1=O |r| Show InChI InChI=1S/C26H45N5O2/c1-31-23(32)26(30-24(31)27,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)29-25(33)28-21-12-6-3-7-13-21/h19-22H,2-18H2,1H3,(H2,27,30)(H2,28,29,33)/t20-,22+,26+/m0/s1 | PDB
MMDB
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| CHEMBL
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| Article
PubMed
| 138 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036577
(CHEMBL3354251)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC2CCCCC2)C1=O |r| Show InChI InChI=1S/C25H44N4O/c1-29-23(30)25(28-24(29)26,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)27-21-12-6-3-7-13-21/h19-22,27H,2-18H2,1H3,(H2,26,28)/t20-,22+,25+/m0/s1 | PDB
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| Article
PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036607
(CHEMBL3354258)Show SMILES COc1ccccc1NC(=O)N[C@@H]1CCC[C@H](C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)C1 |r| Show InChI InChI=1S/C27H41N5O3/c1-32-24(33)27(31-25(32)28,16-15-19-9-4-3-5-10-19)18-20-11-8-12-21(17-20)29-26(34)30-22-13-6-7-14-23(22)35-2/h6-7,13-14,19-21H,3-5,8-12,15-18H2,1-2H3,(H2,28,31)(H2,29,30,34)/t20-,21+,27+/m0/s1 | PDB
MMDB
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| CHEMBL
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| Article
PubMed
| 276 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036604
(CHEMBL3354256)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccccc2Cl)C1=O |r| Show InChI InChI=1S/C26H38ClN5O2/c1-32-23(33)26(31-24(32)28,15-14-18-8-3-2-4-9-18)17-19-10-7-11-20(16-19)29-25(34)30-22-13-6-5-12-21(22)27/h5-6,12-13,18-20H,2-4,7-11,14-17H2,1H3,(H2,28,31)(H2,29,30,34)/t19-,20+,26+/m0/s1 | PDB
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| Article
PubMed
| 301 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036574
(CHEMBL3354250)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC2CCCC2)C1=O |r| Show InChI InChI=1S/C24H42N4O/c1-28-22(29)24(27-23(28)25,15-14-18-8-3-2-4-9-18)17-19-10-7-13-21(16-19)26-20-11-5-6-12-20/h18-21,26H,2-17H2,1H3,(H2,25,27)/t19-,21+,24+/m0/s1 | PDB
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Article
PubMed
| 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036575
(CHEMBL3354249)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NCC2CC2)C1=O |r| Show InChI InChI=1S/C23H40N4O/c1-27-21(28)23(26-22(27)24,13-12-17-6-3-2-4-7-17)15-19-8-5-9-20(14-19)25-16-18-10-11-18/h17-20,25H,2-16H2,1H3,(H2,24,26)/t19-,20+,23+/m0/s1 | PDB
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| Article
PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036579
(CHEMBL3354245)Show SMILES [H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCN(C1)C(=O)CCCC |r| Show InChI InChI=1S/C22H38N4O2/c1-3-4-10-19(27)26-14-12-18(16-26)15-22(20(28)25(2)21(23)24-22)13-11-17-8-6-5-7-9-17/h17-18H,3-16H2,1-2H3,(H2,23,24)/t18-,22-/m1/s1 | PDB
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| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036583
(CHEMBL3354254)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C27H40N4O2/c1-31-25(33)27(30-26(31)28,16-15-20-9-4-2-5-10-20)19-22-13-8-14-23(17-22)29-24(32)18-21-11-6-3-7-12-21/h3,6-7,11-12,20,22-23H,2,4-5,8-10,13-19H2,1H3,(H2,28,30)(H,29,32)/t22-,23+,27+/m0/s1 | PDB
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| CHEMBL
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| Article
PubMed
| 585 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036581
(CHEMBL3354247)Show SMILES [H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCN(C1)C(=O)CC1CCCC1 |r| Show InChI InChI=1S/C24H40N4O2/c1-27-22(30)24(26-23(27)25,13-11-18-7-3-2-4-8-18)16-20-12-14-28(17-20)21(29)15-19-9-5-6-10-19/h18-20H,2-17H2,1H3,(H2,25,26)/t20-,24-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036589
(CHEMBL3354243)Show SMILES [H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)CC1CCCC1 |r| Show InChI InChI=1S/C25H42N4O2/c1-28-23(31)25(27-24(28)26,14-13-19-8-3-2-4-9-19)17-21-12-7-15-29(18-21)22(30)16-20-10-5-6-11-20/h19-21H,2-18H2,1H3,(H2,26,27)/t21-,25-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036589
(CHEMBL3354243)Show SMILES [H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)CC1CCCC1 |r| Show InChI InChI=1S/C25H42N4O2/c1-28-23(31)25(27-24(28)26,14-13-19-8-3-2-4-9-19)17-21-12-7-15-29(18-21)22(30)16-20-10-5-6-11-20/h19-21H,2-18H2,1H3,(H2,26,27)/t21-,25-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036607
(CHEMBL3354258)Show SMILES COc1ccccc1NC(=O)N[C@@H]1CCC[C@H](C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)C1 |r| Show InChI InChI=1S/C27H41N5O3/c1-32-24(33)27(31-25(32)28,16-15-19-9-4-3-5-10-19)18-20-11-8-12-21(17-20)29-26(34)30-22-13-6-7-14-23(22)35-2/h6-7,13-14,19-21H,3-5,8-12,15-18H2,1-2H3,(H2,28,31)(H2,29,30,34)/t20-,21+,27+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036606
(CHEMBL3354259)Show SMILES COc1ccc(NC(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)NC(=N)N(C)C3=O)C2)cc1 |r| Show InChI InChI=1S/C27H41N5O3/c1-32-24(33)27(31-25(32)28,16-15-19-7-4-3-5-8-19)18-20-9-6-10-22(17-20)30-26(34)29-21-11-13-23(35-2)14-12-21/h11-14,19-20,22H,3-10,15-18H2,1-2H3,(H2,28,31)(H2,29,30,34)/t20-,22+,27+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036592
(CHEMBL3353635)Show SMILES [H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)NCCC |r| Show InChI InChI=1S/C22H39N5O2/c1-3-13-24-21(29)27-14-7-10-18(16-27)15-22(19(28)26(2)20(23)25-22)12-11-17-8-5-4-6-9-17/h17-18H,3-16H2,1-2H3,(H2,23,25)(H,24,29)/t18-,22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036584
(CHEMBL3353637)Show SMILES [H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)CCCC |r| Show InChI InChI=1S/C23H40N4O2/c1-3-4-12-20(28)27-15-8-11-19(17-27)16-23(21(29)26(2)22(24)25-23)14-13-18-9-6-5-7-10-18/h18-19H,3-17H2,1-2H3,(H2,24,25)/t19-,23-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036583
(CHEMBL3354254)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C27H40N4O2/c1-31-25(33)27(30-26(31)28,16-15-20-9-4-2-5-10-20)19-22-13-8-14-23(17-22)29-24(32)18-21-11-6-3-7-12-21/h3,6-7,11-12,20,22-23H,2,4-5,8-10,13-19H2,1H3,(H2,28,30)(H,29,32)/t22-,23+,27+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036576
(CHEMBL3354252)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)c2ccccc2)C1=O |r| Show InChI InChI=1S/C26H38N4O2/c1-30-24(32)26(29-25(30)27,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)28-23(31)21-12-6-3-7-13-21/h3,6-7,12-13,19-20,22H,2,4-5,8-11,14-18H2,1H3,(H2,27,29)(H,28,31)/t20-,22+,26+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036594
(CHEMBL3354261)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)NC2CCCCC2)C1=O |r| Show InChI InChI=1S/C26H45N5O2/c1-31-23(32)26(30-24(31)27,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)29-25(33)28-21-12-6-3-7-13-21/h19-22H,2-18H2,1H3,(H2,27,30)(H2,28,29,33)/t20-,22+,26+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036581
(CHEMBL3354247)Show SMILES [H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCN(C1)C(=O)CC1CCCC1 |r| Show InChI InChI=1S/C24H40N4O2/c1-27-22(30)24(26-23(27)25,13-11-18-7-3-2-4-8-18)16-20-12-14-28(17-20)21(29)15-19-9-5-6-10-19/h18-20H,2-17H2,1H3,(H2,25,26)/t20-,24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036585
(CHEMBL3353636)Show SMILES [H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)S(=O)(=O)CCCC |r| Show InChI InChI=1S/C22H40N4O3S/c1-3-4-15-30(28,29)26-14-8-11-19(17-26)16-22(20(27)25(2)21(23)24-22)13-12-18-9-6-5-7-10-18/h18-19H,3-17H2,1-2H3,(H2,23,24)/t19-,22-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036596
(CHEMBL3354260)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccc(cc2)C#N)C1=O |r| Show InChI InChI=1S/C27H38N6O2/c1-33-24(34)27(32-25(33)29,15-14-19-6-3-2-4-7-19)17-21-8-5-9-23(16-21)31-26(35)30-22-12-10-20(18-28)11-13-22/h10-13,19,21,23H,2-9,14-17H2,1H3,(H2,29,32)(H2,30,31,35)/t21-,23+,27+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036582
(CHEMBL3354255)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccccc2)C1=O |r| Show InChI InChI=1S/C26H39N5O2/c1-31-23(32)26(30-24(31)27,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)29-25(33)28-21-12-6-3-7-13-21/h3,6-7,12-13,19-20,22H,2,4-5,8-11,14-18H2,1H3,(H2,27,30)(H2,28,29,33)/t20-,22+,26+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036597
(CHEMBL3354263)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2cnc3ccccc3n2)C1=O |r| Show InChI InChI=1S/C28H39N7O2/c1-35-25(36)28(34-26(35)29,15-14-19-8-3-2-4-9-19)17-20-10-7-11-21(16-20)31-27(37)33-24-18-30-22-12-5-6-13-23(22)32-24/h5-6,12-13,18-21H,2-4,7-11,14-17H2,1H3,(H2,29,34)(H2,31,32,33,37)/t20-,21+,28+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036593
(CHEMBL3353634)Show SMILES [H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(CCCCC)C1 |r| Show InChI InChI=1S/C23H42N4O/c1-3-4-8-15-27-16-9-12-20(18-27)17-23(21(28)26(2)22(24)25-23)14-13-19-10-6-5-7-11-19/h19-20H,3-18H2,1-2H3,(H2,24,25)/t20-,23-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036608
(CHEMBL3354244)Show SMILES [H][C@@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)CC1CCCC1 |r| Show InChI InChI=1S/C25H42N4O2/c1-28-23(31)25(27-24(28)26,14-13-19-8-3-2-4-9-19)17-21-12-7-15-29(18-21)22(30)16-20-10-5-6-11-20/h19-21H,2-18H2,1H3,(H2,26,27)/t21-,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036604
(CHEMBL3354256)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccccc2Cl)C1=O |r| Show InChI InChI=1S/C26H38ClN5O2/c1-32-23(33)26(31-24(32)28,15-14-18-8-3-2-4-9-18)17-19-10-7-11-20(16-19)29-25(34)30-22-13-6-5-12-21(22)27/h5-6,12-13,18-20H,2-4,7-11,14-17H2,1H3,(H2,28,31)(H2,29,30,34)/t19-,20+,26+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036588
(CHEMBL3353633)Show SMILES [H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCNC1 |r| Show InChI InChI=1S/C18H32N4O/c1-22-16(23)18(21-17(22)19,12-15-8-5-11-20-13-15)10-9-14-6-3-2-4-7-14/h14-15,20H,2-13H2,1H3,(H2,19,21)/t15-,18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036592
(CHEMBL3353635)Show SMILES [H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)NCCC |r| Show InChI InChI=1S/C22H39N5O2/c1-3-13-24-21(29)27-14-7-10-18(16-27)15-22(19(28)26(2)20(23)25-22)12-11-17-8-5-4-6-9-17/h17-18H,3-16H2,1-2H3,(H2,23,25)(H,24,29)/t18-,22-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036608
(CHEMBL3354244)Show SMILES [H][C@@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)CC1CCCC1 |r| Show InChI InChI=1S/C25H42N4O2/c1-28-23(31)25(27-24(28)26,14-13-19-8-3-2-4-9-19)17-21-12-7-15-29(18-21)22(30)16-20-10-5-6-11-20/h19-21H,2-18H2,1H3,(H2,26,27)/t21-,25+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036591
(CHEMBL3354242)Show SMILES [H][C@@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)CCCC |r| Show InChI InChI=1S/C23H40N4O2/c1-3-4-12-20(28)27-15-8-11-19(17-27)16-23(21(29)26(2)22(24)25-23)14-13-18-9-6-5-7-10-18/h18-19H,3-17H2,1-2H3,(H2,24,25)/t19-,23+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036578
(CHEMBL3354246)Show SMILES [H][C@@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCN(C1)C(=O)CCCC |r| Show InChI InChI=1S/C22H38N4O2/c1-3-4-10-19(27)26-14-12-18(16-26)15-22(20(28)25(2)21(23)24-22)13-11-17-8-6-5-7-9-17/h17-18H,3-16H2,1-2H3,(H2,23,24)/t18-,22+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036571
(CHEMBL3354253)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)c2ccncc2)C1=O |r| Show InChI InChI=1S/C25H37N5O2/c1-30-23(32)25(29-24(30)26,13-10-18-6-3-2-4-7-18)17-19-8-5-9-21(16-19)28-22(31)20-11-14-27-15-12-20/h11-12,14-15,18-19,21H,2-10,13,16-17H2,1H3,(H2,26,29)(H,28,31)/t19-,21+,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.93E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036579
(CHEMBL3354245)Show SMILES [H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCN(C1)C(=O)CCCC |r| Show InChI InChI=1S/C22H38N4O2/c1-3-4-10-19(27)26-14-12-18(16-26)15-22(20(28)25(2)21(23)24-22)13-11-17-8-6-5-7-9-17/h17-18H,3-16H2,1-2H3,(H2,23,24)/t18-,22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036600
(CHEMBL3354262)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccc3ccccc3n2)C1=O |r| Show InChI InChI=1S/C29H40N6O2/c1-35-26(36)29(34-27(35)30,17-16-20-8-3-2-4-9-20)19-21-10-7-12-23(18-21)31-28(37)33-25-15-14-22-11-5-6-13-24(22)32-25/h5-6,11,13-15,20-21,23H,2-4,7-10,12,16-19H2,1H3,(H2,30,34)(H2,31,32,33,37)/t21-,23+,29+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036585
(CHEMBL3353636)Show SMILES [H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)S(=O)(=O)CCCC |r| Show InChI InChI=1S/C22H40N4O3S/c1-3-4-15-30(28,29)26-14-8-11-19(17-26)16-22(20(27)25(2)21(23)24-22)13-12-18-9-6-5-7-10-18/h18-19H,3-17H2,1-2H3,(H2,23,24)/t19-,22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036591
(CHEMBL3354242)Show SMILES [H][C@@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)CCCC |r| Show InChI InChI=1S/C23H40N4O2/c1-3-4-12-20(28)27-15-8-11-19(17-27)16-23(21(29)26(2)22(24)25-23)14-13-18-9-6-5-7-10-18/h18-19H,3-17H2,1-2H3,(H2,24,25)/t19-,23+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036598
(CHEMBL3353631)Show SMILES [H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C23H40N4O3/c1-22(2,3)30-21(29)27-14-8-11-18(16-27)15-23(19(28)26(4)20(24)25-23)13-12-17-9-6-5-7-10-17/h17-18H,5-16H2,1-4H3,(H2,24,25)/t18-,23-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036601
(CHEMBL3353630)Show SMILES [H][C@@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C23H40N4O3/c1-22(2,3)30-21(29)27-14-8-11-18(16-27)15-23(19(28)26(4)20(24)25-23)13-12-17-9-6-5-7-10-17/h17-18H,5-16H2,1-4H3,(H2,24,25)/t18-,23+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036580
(CHEMBL3354248)Show SMILES [H][C@@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCN(C1)C(=O)CC1CCCC1 |r| Show InChI InChI=1S/C24H40N4O2/c1-27-22(30)24(26-23(27)25,13-11-18-7-3-2-4-8-18)16-20-12-14-28(17-20)21(29)15-19-9-5-6-10-19/h18-20H,2-17H2,1H3,(H2,25,26)/t20-,24+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036601
(CHEMBL3353630)Show SMILES [H][C@@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C23H40N4O3/c1-22(2,3)30-21(29)27-14-8-11-18(16-27)15-23(19(28)26(4)20(24)25-23)13-12-17-9-6-5-7-10-17/h17-18H,5-16H2,1-4H3,(H2,24,25)/t18-,23+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036584
(CHEMBL3353637)Show SMILES [H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)CCCC |r| Show InChI InChI=1S/C23H40N4O2/c1-3-4-12-20(28)27-15-8-11-19(17-27)16-23(21(29)26(2)22(24)25-23)14-13-18-9-6-5-7-10-18/h18-19H,3-17H2,1-2H3,(H2,24,25)/t19-,23-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036575
(CHEMBL3354249)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NCC2CC2)C1=O |r| Show InChI InChI=1S/C23H40N4O/c1-27-21(28)23(26-22(27)24,13-12-17-6-3-2-4-7-17)15-19-8-5-9-20(14-19)25-16-18-10-11-18/h17-20,25H,2-16H2,1H3,(H2,24,26)/t19-,20+,23+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036577
(CHEMBL3354251)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC2CCCCC2)C1=O |r| Show InChI InChI=1S/C25H44N4O/c1-29-23(30)25(28-24(29)26,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)27-21-12-6-3-7-13-21/h19-22,27H,2-18H2,1H3,(H2,26,28)/t20-,22+,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036590
(CHEMBL3353632)Show SMILES [H][C@@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCNC1 |r| Show InChI InChI=1S/C18H32N4O/c1-22-16(23)18(21-17(22)19,12-15-8-5-11-20-13-15)10-9-14-6-3-2-4-7-14/h14-15,20H,2-13H2,1H3,(H2,19,21)/t15-,18+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036598
(CHEMBL3353631)Show SMILES [H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C23H40N4O3/c1-22(2,3)30-21(29)27-14-8-11-18(16-27)15-23(19(28)26(4)20(24)25-23)13-12-17-9-6-5-7-10-17/h17-18H,5-16H2,1-4H3,(H2,24,25)/t18-,23-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036590
(CHEMBL3353632)Show SMILES [H][C@@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCNC1 |r| Show InChI InChI=1S/C18H32N4O/c1-22-16(23)18(21-17(22)19,12-15-8-5-11-20-13-15)10-9-14-6-3-2-4-7-14/h14-15,20H,2-13H2,1H3,(H2,19,21)/t15-,18+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036574
(CHEMBL3354250)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC2CCCC2)C1=O |r| Show InChI InChI=1S/C24H42N4O/c1-28-22(29)24(27-23(28)25,15-14-18-8-3-2-4-9-18)17-19-10-7-13-21(16-19)26-20-11-5-6-12-20/h18-21,26H,2-17H2,1H3,(H2,25,27)/t19-,21+,24+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036588
(CHEMBL3353633)Show SMILES [H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCNC1 |r| Show InChI InChI=1S/C18H32N4O/c1-22-16(23)18(21-17(22)19,12-15-8-5-11-20-13-15)10-9-14-6-3-2-4-7-14/h14-15,20H,2-13H2,1H3,(H2,19,21)/t15-,18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036602
(CHEMBL3354257)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccc(Cl)cc2)C1=O |r| Show InChI InChI=1S/C26H38ClN5O2/c1-32-23(33)26(31-24(32)28,15-14-18-6-3-2-4-7-18)17-19-8-5-9-22(16-19)30-25(34)29-21-12-10-20(27)11-13-21/h10-13,18-19,22H,2-9,14-17H2,1H3,(H2,28,31)(H2,29,30,34)/t19-,22+,26+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036593
(CHEMBL3353634)Show SMILES [H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(CCCCC)C1 |r| Show InChI InChI=1S/C23H42N4O/c1-3-4-8-15-27-16-9-12-20(18-27)17-23(21(28)26(2)22(24)25-23)14-13-19-10-6-5-7-11-19/h19-20H,3-18H2,1-2H3,(H2,24,25)/t20-,23-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036600
(CHEMBL3354262)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccc3ccccc3n2)C1=O |r| Show InChI InChI=1S/C29H40N6O2/c1-35-26(36)29(34-27(35)30,17-16-20-8-3-2-4-9-20)19-21-10-7-12-23(18-21)31-28(37)33-25-15-14-22-11-5-6-13-24(22)32-25/h5-6,11,13-15,20-21,23H,2-4,7-10,12,16-19H2,1H3,(H2,30,34)(H2,31,32,33,37)/t21-,23+,29+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1-mediated amyloid beta 40 production in HEK293-APPswe/lon cells by whole cell assay in presence of P-gp inhibitor |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036600
(CHEMBL3354262)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccc3ccccc3n2)C1=O |r| Show InChI InChI=1S/C29H40N6O2/c1-35-26(36)29(34-27(35)30,17-16-20-8-3-2-4-9-20)19-21-10-7-12-23(18-21)31-28(37)33-25-15-14-22-11-5-6-13-24(22)32-25/h5-6,11,13-15,20-21,23H,2-4,7-10,12,16-19H2,1H3,(H2,30,34)(H2,31,32,33,37)/t21-,23+,29+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 258 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1-mediated amyloid beta 40 production in HEK293-APPswe/lon cells by whole cell assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this
Ligand-Target Pair | |
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