Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50032640 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 |
|---|
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332481
((R)-2-((R)-3-amino-3-(4-((2-methylquinolin-4-yl)me...)Show SMILES CC(C)[C@@H](N1CC[C@](N)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r| Show InChI InChI=1S/C26H30N4O4/c1-16(2)23(24(31)29-33)30-13-12-26(27,25(30)32)19-8-10-20(11-9-19)34-15-18-14-17(3)28-22-7-5-4-6-21(18)22/h4-11,14,16,23,33H,12-13,15,27H2,1-3H3,(H,29,31)/t23-,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TACE by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332481
((R)-2-((R)-3-amino-3-(4-((2-methylquinolin-4-yl)me...)Show SMILES CC(C)[C@@H](N1CC[C@](N)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r| Show InChI InChI=1S/C26H30N4O4/c1-16(2)23(24(31)29-33)30-13-12-26(27,25(30)32)19-8-10-20(11-9-19)34-15-18-14-17(3)28-22-7-5-4-6-21(18)22/h4-11,14,16,23,33H,12-13,15,27H2,1-3H3,(H,29,31)/t23-,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TACE by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332476
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-5-(3-(2...)Show SMILES Cc1ccc2oc(=O)c(CC(CCCc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1 Show InChI InChI=1S/C29H36N2O5/c1-21-11-12-27-24(17-21)20-25(29(33)36-27)19-23(28(32)30-34)9-5-7-22-8-6-10-26(18-22)35-16-15-31-13-3-2-4-14-31/h6,8,10-12,17-18,20,23,34H,2-5,7,9,13-16,19H2,1H3,(H,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TACE by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332476
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-5-(3-(2...)Show SMILES Cc1ccc2oc(=O)c(CC(CCCc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1 Show InChI InChI=1S/C29H36N2O5/c1-21-11-12-27-24(17-21)20-25(29(33)36-27)19-23(28(32)30-34)9-5-7-22-8-6-10-26(18-22)35-16-15-31-13-3-2-4-14-31/h6,8,10-12,17-18,20,23,34H,2-5,7,9,13-16,19H2,1H3,(H,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TACE by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332480
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((7-methyl-...)Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(C)cc3oc2=O)C(=O)NO)cc1 Show InChI InChI=1S/C27H34N2O5/c1-4-29(5-2)14-15-33-24-12-8-20(9-13-24)7-11-22(26(30)28-32)18-23-17-21-10-6-19(3)16-25(21)34-27(23)31/h6,8-10,12-13,16-17,22,32H,4-5,7,11,14-15,18H2,1-3H3,(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TACE by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332470
(CHEMBL1630100 | N-Hydroxy-4-(4-hydroxyphenyl)-2-((...)Show SMILES Cc1ccc2oc(=O)c(CC(CCc3ccc(O)cc3)C(=O)NO)cc2c1 Show InChI InChI=1S/C21H21NO5/c1-13-2-9-19-16(10-13)12-17(21(25)27-19)11-15(20(24)22-26)6-3-14-4-7-18(23)8-5-14/h2,4-5,7-10,12,15,23,26H,3,6,11H2,1H3,(H,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TACE by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332479
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((7-fluoro-...)Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(F)cc3oc2=O)C(=O)NO)cc1 Show InChI InChI=1S/C26H31FN2O5/c1-3-29(4-2)13-14-33-23-11-6-18(7-12-23)5-8-20(25(30)28-32)16-21-15-19-9-10-22(27)17-24(19)34-26(21)31/h6-7,9-12,15,17,20,32H,3-5,8,13-14,16H2,1-2H3,(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TACE by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50224961
(2-benzyl-N-hydroxy-3-(6-methyl-2-oxo-2H-chromen-3-...)Show SMILES Cc1ccc2oc(=O)c(CC(Cc3ccccc3)C(=O)NO)cc2c1 |w:10.10| Show InChI InChI=1S/C20H19NO4/c1-13-7-8-18-15(9-13)11-17(20(23)25-18)12-16(19(22)21-24)10-14-5-3-2-4-6-14/h2-9,11,16,24H,10,12H2,1H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TACE by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332478
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((6-methyl-...)Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3cc(C)ccc3oc2=O)C(=O)NO)cc1 Show InChI InChI=1S/C27H34N2O5/c1-4-29(5-2)14-15-33-24-11-8-20(9-12-24)7-10-21(26(30)28-32)17-23-18-22-16-19(3)6-13-25(22)34-27(23)31/h6,8-9,11-13,16,18,21,32H,4-5,7,10,14-15,17H2,1-3H3,(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TACE by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332477
(4-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-((6-methyl...)Show SMILES CN(C)CCOc1ccc(CCC(Cc2cc3cc(C)ccc3oc2=O)C(=O)NO)cc1 Show InChI InChI=1S/C25H30N2O5/c1-17-4-11-23-20(14-17)16-21(25(29)32-23)15-19(24(28)26-30)8-5-18-6-9-22(10-7-18)31-13-12-27(2)3/h4,6-7,9-11,14,16,19,30H,5,8,12-13,15H2,1-3H3,(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TACE by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332477
(4-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-((6-methyl...)Show SMILES CN(C)CCOc1ccc(CCC(Cc2cc3cc(C)ccc3oc2=O)C(=O)NO)cc1 Show InChI InChI=1S/C25H30N2O5/c1-17-4-11-23-20(14-17)16-21(25(29)32-23)15-19(24(28)26-30)8-5-18-6-9-22(10-7-18)31-13-12-27(2)3/h4,6-7,9-11,14,16,19,30H,5,8,12-13,15H2,1-3H3,(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TACE by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332474
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-4-(3-(2...)Show SMILES Cc1ccc2oc(=O)c(CC(CCc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1 Show InChI InChI=1S/C28H34N2O5/c1-20-8-11-26-23(16-20)19-24(28(32)35-26)18-22(27(31)29-33)10-9-21-6-5-7-25(17-21)34-15-14-30-12-3-2-4-13-30/h5-8,11,16-17,19,22,33H,2-4,9-10,12-15,18H2,1H3,(H,29,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TACE by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332473
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-4-(4-(2...)Show SMILES Cc1ccc2oc(=O)c(CC(CCc3ccc(OCCN4CCCCC4)cc3)C(=O)NO)cc2c1 Show InChI InChI=1S/C28H34N2O5/c1-20-5-12-26-23(17-20)19-24(28(32)35-26)18-22(27(31)29-33)9-6-21-7-10-25(11-8-21)34-16-15-30-13-3-2-4-14-30/h5,7-8,10-12,17,19,22,33H,2-4,6,9,13-16,18H2,1H3,(H,29,31) | PDB
MMDB
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 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TACE by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332475
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-5-(4-(2...)Show SMILES Cc1ccc2oc(=O)c(CC(CCCc3ccc(OCCN4CCCCC4)cc3)C(=O)NO)cc2c1 Show InChI InChI=1S/C29H36N2O5/c1-21-8-13-27-24(18-21)20-25(29(33)36-27)19-23(28(32)30-34)7-5-6-22-9-11-26(12-10-22)35-17-16-31-14-3-2-4-15-31/h8-13,18,20,23,34H,2-7,14-17,19H2,1H3,(H,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TACE by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332472
(3-(6-Methyl-2-oxo-2H-chromen-3-yl)-2-(3-(2-(piperi...)Show SMILES Cc1ccc2oc(=O)c(CC(Cc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1 Show InChI InChI=1S/C27H32N2O5/c1-19-8-9-25-21(14-19)17-23(27(31)34-25)18-22(26(30)28-32)15-20-6-5-7-24(16-20)33-13-12-29-10-3-2-4-11-29/h5-9,14,16-17,22,32H,2-4,10-13,15,18H2,1H3,(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TACE by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332471
(3-(6-Methyl-2-oxo-2H-chromen-3-yl)-2-(4-(2-(piperi...)Show SMILES Cc1ccc2oc(=O)c(CC(Cc3ccc(OCCN4CCCCC4)cc3)C(=O)NO)cc2c1 Show InChI InChI=1S/C27H32N2O5/c1-19-5-10-25-21(15-19)17-23(27(31)34-25)18-22(26(30)28-32)16-20-6-8-24(9-7-20)33-14-13-29-11-3-2-4-12-29/h5-10,15,17,22,32H,2-4,11-14,16,18H2,1H3,(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TACE by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332482
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-6-pheny...)Show SMILES Cc1ccc2oc(=O)c(CC(CCCCc3ccccc3)C(=O)NO)cc2c1 Show InChI InChI=1S/C23H25NO4/c1-16-11-12-21-19(13-16)15-20(23(26)28-21)14-18(22(25)24-27)10-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,11-13,15,18,27H,5-6,9-10,14H2,1H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TACE by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332480
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((7-methyl-...)Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(C)cc3oc2=O)C(=O)NO)cc1 Show InChI InChI=1S/C27H34N2O5/c1-4-29(5-2)14-15-33-24-12-8-20(9-13-24)7-11-22(26(30)28-32)18-23-17-21-10-6-19(3)16-25(21)34-27(23)31/h6,8-10,12-13,16-17,22,32H,4-5,7,11,14-15,18H2,1-3H3,(H,28,30) | PDB
MMDB
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 |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332479
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((7-fluoro-...)Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(F)cc3oc2=O)C(=O)NO)cc1 Show InChI InChI=1S/C26H31FN2O5/c1-3-29(4-2)13-14-33-23-11-6-18(7-12-23)5-8-20(25(30)28-32)16-21-15-19-9-10-22(27)17-24(19)34-26(21)31/h6-7,9-12,15,17,20,32H,3-5,8,13-14,16H2,1-2H3,(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332478
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((6-methyl-...)Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3cc(C)ccc3oc2=O)C(=O)NO)cc1 Show InChI InChI=1S/C27H34N2O5/c1-4-29(5-2)14-15-33-24-11-8-20(9-12-24)7-10-21(26(30)28-32)17-23-18-22-16-19(3)6-13-25(22)34-27(23)31/h6,8-9,11-13,16,18,21,32H,4-5,7,10,14-15,17H2,1-3H3,(H,28,30) | PDB
MMDB
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 |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332473
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-4-(4-(2...)Show SMILES Cc1ccc2oc(=O)c(CC(CCc3ccc(OCCN4CCCCC4)cc3)C(=O)NO)cc2c1 Show InChI InChI=1S/C28H34N2O5/c1-20-5-12-26-23(17-20)19-24(28(32)35-26)18-22(27(31)29-33)9-6-21-7-10-25(11-8-21)34-16-15-30-13-3-2-4-14-30/h5,7-8,10-12,17,19,22,33H,2-4,6,9,13-16,18H2,1H3,(H,29,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332474
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-4-(3-(2...)Show SMILES Cc1ccc2oc(=O)c(CC(CCc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1 Show InChI InChI=1S/C28H34N2O5/c1-20-8-11-26-23(16-20)19-24(28(32)35-26)18-22(27(31)29-33)10-9-21-6-5-7-25(17-21)34-15-14-30-12-3-2-4-13-30/h5-8,11,16-17,19,22,33H,2-4,9-10,12-15,18H2,1H3,(H,29,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332472
(3-(6-Methyl-2-oxo-2H-chromen-3-yl)-2-(3-(2-(piperi...)Show SMILES Cc1ccc2oc(=O)c(CC(Cc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1 Show InChI InChI=1S/C27H32N2O5/c1-19-8-9-25-21(14-19)17-23(27(31)34-25)18-22(26(30)28-32)15-20-6-5-7-24(16-20)33-13-12-29-10-3-2-4-11-29/h5-9,14,16-17,22,32H,2-4,10-13,15,18H2,1H3,(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332475
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-5-(4-(2...)Show SMILES Cc1ccc2oc(=O)c(CC(CCCc3ccc(OCCN4CCCCC4)cc3)C(=O)NO)cc2c1 Show InChI InChI=1S/C29H36N2O5/c1-21-8-13-27-24(18-21)20-25(29(33)36-27)19-23(28(32)30-34)7-5-6-22-9-11-26(12-10-22)35-17-16-31-14-3-2-4-15-31/h8-13,18,20,23,34H,2-7,14-17,19H2,1H3,(H,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50224961
(2-benzyl-N-hydroxy-3-(6-methyl-2-oxo-2H-chromen-3-...)Show SMILES Cc1ccc2oc(=O)c(CC(Cc3ccccc3)C(=O)NO)cc2c1 |w:10.10| Show InChI InChI=1S/C20H19NO4/c1-13-7-8-18-15(9-13)11-17(20(23)25-18)12-16(19(22)21-24)10-14-5-3-2-4-6-14/h2-9,11,16,24H,10,12H2,1H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332470
(CHEMBL1630100 | N-Hydroxy-4-(4-hydroxyphenyl)-2-((...)Show SMILES Cc1ccc2oc(=O)c(CC(CCc3ccc(O)cc3)C(=O)NO)cc2c1 Show InChI InChI=1S/C21H21NO5/c1-13-2-9-19-16(10-13)12-17(21(25)27-19)11-15(20(24)22-26)6-3-14-4-7-18(23)8-5-14/h2,4-5,7-10,12,15,23,26H,3,6,11H2,1H3,(H,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332471
(3-(6-Methyl-2-oxo-2H-chromen-3-yl)-2-(4-(2-(piperi...)Show SMILES Cc1ccc2oc(=O)c(CC(Cc3ccc(OCCN4CCCCC4)cc3)C(=O)NO)cc2c1 Show InChI InChI=1S/C27H32N2O5/c1-19-5-10-25-21(15-19)17-23(27(31)34-25)18-22(26(30)28-32)16-20-6-8-24(9-7-20)33-14-13-29-11-3-2-4-12-29/h5-10,15,17,22,32H,2-4,11-14,16,18H2,1H3,(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332482
(2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-6-pheny...)Show SMILES Cc1ccc2oc(=O)c(CC(CCCCc3ccccc3)C(=O)NO)cc2c1 Show InChI InChI=1S/C23H25NO4/c1-16-11-12-21-19(13-16)15-20(23(26)28-21)14-18(22(25)24-27)10-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,11-13,15,18,27H,5-6,9-10,14H2,1H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50332481
((R)-2-((R)-3-amino-3-(4-((2-methylquinolin-4-yl)me...)Show SMILES CC(C)[C@@H](N1CC[C@](N)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r| Show InChI InChI=1S/C26H30N4O4/c1-16(2)23(24(31)29-33)30-13-12-26(27,25(30)32)19-8-10-20(11-9-19)34-15-18-14-17(3)28-22-7-5-4-6-21(18)22/h4-11,14,16,23,33H,12-13,15,27H2,1-3H3,(H,29,31)/t23-,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human MMP3 in cell-free system by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50332480
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((7-methyl-...)Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(C)cc3oc2=O)C(=O)NO)cc1 Show InChI InChI=1S/C27H34N2O5/c1-4-29(5-2)14-15-33-24-12-8-20(9-13-24)7-11-22(26(30)28-32)18-23-17-21-10-6-19(3)16-25(21)34-27(23)31/h6,8-10,12-13,16-17,22,32H,4-5,7,11,14-15,18H2,1-3H3,(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human MMP3 in cell-free system by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50332480
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((7-methyl-...)Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(C)cc3oc2=O)C(=O)NO)cc1 Show InChI InChI=1S/C27H34N2O5/c1-4-29(5-2)14-15-33-24-12-8-20(9-13-24)7-11-22(26(30)28-32)18-23-17-21-10-6-19(3)16-25(21)34-27(23)31/h6,8-10,12-13,16-17,22,32H,4-5,7,11,14-15,18H2,1-3H3,(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human MMP9 in cell-free system by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50332481
((R)-2-((R)-3-amino-3-(4-((2-methylquinolin-4-yl)me...)Show SMILES CC(C)[C@@H](N1CC[C@](N)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r| Show InChI InChI=1S/C26H30N4O4/c1-16(2)23(24(31)29-33)30-13-12-26(27,25(30)32)19-8-10-20(11-9-19)34-15-18-14-17(3)28-22-7-5-4-6-21(18)22/h4-11,14,16,23,33H,12-13,15,27H2,1-3H3,(H,29,31)/t23-,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human MMP9 in cell-free system by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50332480
(4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((7-methyl-...)Show SMILES CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(C)cc3oc2=O)C(=O)NO)cc1 Show InChI InChI=1S/C27H34N2O5/c1-4-29(5-2)14-15-33-24-12-8-20(9-13-24)7-11-22(26(30)28-32)18-23-17-21-10-6-19(3)16-25(21)34-27(23)31/h6,8-10,12-13,16-17,22,32H,4-5,7,11,14-15,18H2,1-3H3,(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.57E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human MMP1 in cell-free system by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50332481
((R)-2-((R)-3-amino-3-(4-((2-methylquinolin-4-yl)me...)Show SMILES CC(C)[C@@H](N1CC[C@](N)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r| Show InChI InChI=1S/C26H30N4O4/c1-16(2)23(24(31)29-33)30-13-12-26(27,25(30)32)19-8-10-20(11-9-19)34-15-18-14-17(3)28-22-7-5-4-6-21(18)22/h4-11,14,16,23,33H,12-13,15,27H2,1-3H3,(H,29,31)/t23-,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.93E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description
Inhibition of human MMP1 in cell-free system by fluorescent spectroscopy |
Bioorg Med Chem 18: 8618-29 (2010)
Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW |
More data for this
Ligand-Target Pair | |
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