Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50037771 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 |
|---|
Cathepsin D
(Homo sapiens (Human)) | BDBM912
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Medicinal and Aromatic Plants
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin D |
Bioorg Med Chem Lett 16: 4603-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.010
BindingDB Entry DOI: 10.7270/Q2FB53QN |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50189981
(2-[1-(3,4,5-trimethoxybenzoyl)naphthalen-2-yloxy]e...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1c(OCC(O)=O)ccc2ccccc12 Show InChI InChI=1S/C22H20O7/c1-26-17-10-14(11-18(27-2)22(17)28-3)21(25)20-15-7-5-4-6-13(15)8-9-16(20)29-12-19(23)24/h4-11H,12H2,1-3H3,(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Medicinal and Aromatic Plants
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin D |
Bioorg Med Chem Lett 16: 4603-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.010
BindingDB Entry DOI: 10.7270/Q2FB53QN |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50189983
(CHEMBL214974 | N-butyl-4-(1-(3,4,5-trimethoxybenzo...)Show SMILES CCCCNC(=O)\C=C\COc1ccc2ccccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C28H31NO6/c1-5-6-15-29-25(30)12-9-16-35-22-14-13-19-10-7-8-11-21(19)26(22)27(31)20-17-23(32-2)28(34-4)24(18-20)33-3/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,29,30)/b12-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Medicinal and Aromatic Plants
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin D |
Bioorg Med Chem Lett 16: 4603-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.010
BindingDB Entry DOI: 10.7270/Q2FB53QN |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50189976
(CHEMBL212492 | N-(4-methoxyphenyl)-4-(1-(3,4,5-tri...)Show SMILES COc1ccc(NC(=O)\C=C\COc2ccc3ccccc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 Show InChI InChI=1S/C31H29NO7/c1-35-23-14-12-22(13-15-23)32-28(33)10-7-17-39-25-16-11-20-8-5-6-9-24(20)29(25)30(34)21-18-26(36-2)31(38-4)27(19-21)37-3/h5-16,18-19H,17H2,1-4H3,(H,32,33)/b10-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Medicinal and Aromatic Plants
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin D |
Bioorg Med Chem Lett 16: 4603-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.010
BindingDB Entry DOI: 10.7270/Q2FB53QN |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50189980
(CHEMBL213373 | N-octyl-2-(1-(3,4,5-trimethoxybenzo...)Show SMILES CCCCCCCCNC(=O)COc1ccc2ccccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C30H37NO6/c1-5-6-7-8-9-12-17-31-27(32)20-37-24-16-15-21-13-10-11-14-23(21)28(24)29(33)22-18-25(34-2)30(36-4)26(19-22)35-3/h10-11,13-16,18-19H,5-9,12,17,20H2,1-4H3,(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Medicinal and Aromatic Plants
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin D |
Bioorg Med Chem Lett 16: 4603-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.010
BindingDB Entry DOI: 10.7270/Q2FB53QN |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50189985
(4-[1-(3,4,5-trimethoxybenzoyl)naphthalen-2-yloxy]-...)Show SMILES COc1cc(NC(=O)\C=C\COc2ccc3ccccc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC Show InChI InChI=1S/C33H33NO9/c1-37-25-16-21(17-26(38-2)32(25)41-5)31(36)30-23-11-8-7-10-20(23)13-14-24(30)43-15-9-12-29(35)34-22-18-27(39-3)33(42-6)28(19-22)40-4/h7-14,16-19H,15H2,1-6H3,(H,34,35)/b12-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Medicinal and Aromatic Plants
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin D |
Bioorg Med Chem Lett 16: 4603-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.010
BindingDB Entry DOI: 10.7270/Q2FB53QN |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50189984
(CHEMBL378015 | N-phenyl-2-(1-(3,4,5-trimethoxybenz...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1c(OCC(=O)Nc2ccccc2)ccc2ccccc12 Show InChI InChI=1S/C28H25NO6/c1-32-23-15-19(16-24(33-2)28(23)34-3)27(31)26-21-12-8-7-9-18(21)13-14-22(26)35-17-25(30)29-20-10-5-4-6-11-20/h4-16H,17H2,1-3H3,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.32E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Medicinal and Aromatic Plants
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin D |
Bioorg Med Chem Lett 16: 4603-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.010
BindingDB Entry DOI: 10.7270/Q2FB53QN |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50189978
(CHEMBL377142 | N-(4-methoxyphenyl)-2-(1-(3,4,5-tri...)Show SMILES COc1ccc(NC(=O)COc2ccc3ccccc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 Show InChI InChI=1S/C29H27NO7/c1-33-21-12-10-20(11-13-21)30-26(31)17-37-23-14-9-18-7-5-6-8-22(18)27(23)28(32)19-15-24(34-2)29(36-4)25(16-19)35-3/h5-16H,17H2,1-4H3,(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Medicinal and Aromatic Plants
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin D |
Bioorg Med Chem Lett 16: 4603-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.010
BindingDB Entry DOI: 10.7270/Q2FB53QN |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50189982
(2-[1-(3,4,5-trimethoxybenzoyl)naphthalene-2-yloxy]...)Show SMILES CCOC(=O)COc1ccc2ccccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C24H24O7/c1-5-30-21(25)14-31-18-11-10-15-8-6-7-9-17(15)22(18)23(26)16-12-19(27-2)24(29-4)20(13-16)28-3/h6-13H,5,14H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Medicinal and Aromatic Plants
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin D |
Bioorg Med Chem Lett 16: 4603-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.010
BindingDB Entry DOI: 10.7270/Q2FB53QN |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50189977
(4-(1-(3,4,5-trimethoxybenzoyl)naphthalen-2-yloxy)b...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1c(OC\C=C\C(O)=O)ccc2ccccc12 Show InChI InChI=1S/C24H22O7/c1-28-19-13-16(14-20(29-2)24(19)30-3)23(27)22-17-8-5-4-7-15(17)10-11-18(22)31-12-6-9-21(25)26/h4-11,13-14H,12H2,1-3H3,(H,25,26)/b9-6+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Medicinal and Aromatic Plants
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin D |
Bioorg Med Chem Lett 16: 4603-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.010
BindingDB Entry DOI: 10.7270/Q2FB53QN |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50189979
(CHEMBL378329 | N-phenyl-4-(1-(3,4,5-trimethoxybenz...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1c(OC\C=C\C(=O)Nc2ccccc2)ccc2ccccc12 Show InChI InChI=1S/C30H27NO6/c1-34-25-18-21(19-26(35-2)30(25)36-3)29(33)28-23-13-8-7-10-20(23)15-16-24(28)37-17-9-14-27(32)31-22-11-5-4-6-12-22/h4-16,18-19H,17H2,1-3H3,(H,31,32)/b14-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Medicinal and Aromatic Plants
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin D |
Bioorg Med Chem Lett 16: 4603-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.010
BindingDB Entry DOI: 10.7270/Q2FB53QN |
More data for this
Ligand-Target Pair | |
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