Found 616 hits with Last Name = 'du' and Initial = 'mt' 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 |
|---|
Proteinase-activated receptor 4
(Homo sapiens (Human)) | BDBM175970
(US10047103, 3 | US9605024, Example 3 | US9688695, ...)Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccccc3)cc(OC)cc2o1 Show InChI InChI=1S/C24H18N4O4S2/c1-29-16-8-19(31-12-15-13-33-22(25-15)14-6-4-3-5-7-14)17-10-21(32-20(17)9-16)18-11-28-23(26-18)34-24(27-28)30-2/h3-11,13H,12H2,1-2H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.00400 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Antagonist activity at PAR4 (unknown origin) assessed as inhibition of activating peptide-induced receptor activation |
Bioorg Med Chem Lett 26: 5481-5486 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 4
(Homo sapiens (Human)) | BDBM175970
(US10047103, 3 | US9605024, Example 3 | US9688695, ...)Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccccc3)cc(OC)cc2o1 Show InChI InChI=1S/C24H18N4O4S2/c1-29-16-8-19(31-12-15-13-33-22(25-15)14-6-4-3-5-7-14)17-10-21(32-20(17)9-16)18-11-28-23(26-18)34-24(27-28)30-2/h3-11,13H,12H2,1-2H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Antagonist activity at PAR4 (unknown origin) assessed as inhibition of gamma-thrombin-induced receptor activation |
Bioorg Med Chem Lett 26: 5481-5486 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50106133
(5-Bromo-2-{[4-(4-chloro-phenoxy)-benzenesulfonyl]-...)Show SMILES CN(c1c(CN2CCN(C)CC2)cc(Br)cc1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H28BrClN4O5S/c1-30-11-13-32(14-12-30)17-18-15-19(27)16-24(26(33)29-34)25(18)31(2)38(35,36)23-9-7-22(8-10-23)37-21-5-3-20(28)4-6-21/h3-10,15-16,34H,11-14,17H2,1-2H3,(H,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Matrix metalloprotease-9. |
Bioorg Med Chem Lett 11: 2975-8 (2001)
BindingDB Entry DOI: 10.7270/Q2125T64 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Plasmodium falciparum (isolate 3D7)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20) | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | 7.5 | 23 |
Harvard Medical School
| Assay Description
Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c... |
J Med Chem 52: 2185-7 (2009)
Article DOI: 10.1021/jm801654y
BindingDB Entry DOI: 10.7270/Q26H4FRD |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50106133
(5-Bromo-2-{[4-(4-chloro-phenoxy)-benzenesulfonyl]-...)Show SMILES CN(c1c(CN2CCN(C)CC2)cc(Br)cc1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H28BrClN4O5S/c1-30-11-13-32(14-12-30)17-18-15-19(27)16-24(26(33)29-34)25(18)31(2)38(35,36)23-9-7-22(8-10-23)37-21-5-3-20(28)4-6-21/h3-10,15-16,34H,11-14,17H2,1-2H3,(H,29,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-13 |
Bioorg Med Chem Lett 11: 2975-8 (2001)
BindingDB Entry DOI: 10.7270/Q2125T64 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50106136
(2-{[4-(4-Chloro-phenoxy)-benzenesulfonyl]-methyl-a...)Show SMILES CN(c1c(CN2CCN(C)CC2)cccc1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H29ClN4O5S/c1-29-14-16-31(17-15-29)18-19-4-3-5-24(26(32)28-33)25(19)30(2)37(34,35)23-12-10-22(11-13-23)36-21-8-6-20(27)7-9-21/h3-13,33H,14-18H2,1-2H3,(H,28,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Matrix metalloprotease-13. |
Bioorg Med Chem Lett 11: 2975-8 (2001)
BindingDB Entry DOI: 10.7270/Q2125T64 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM30144
(CHEMBL212481 | beta-sulfone piperidine hydroxamate...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1)C(=O)NO Show InChI InChI=1S/C24H26N2O6S/c1-2-3-17-32-20-9-11-21(12-10-20)33(30,31)18-24(23(28)25-29)13-15-26(16-14-24)22(27)19-7-5-4-6-8-19/h4-12,29H,13-18H2,1H3,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem Lett 16: 3927-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50187792
(1-(benzylsulfonyl)-4-((4-(but-2-ynyloxy)phenylsulf...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C24H28N2O7S2/c1-2-3-17-33-21-9-11-22(12-10-21)34(29,30)19-24(23(27)25-28)13-15-26(16-14-24)35(31,32)18-20-7-5-4-6-8-20/h4-12,28H,13-19H2,1H3,(H,25,27) | 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 |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem Lett 16: 3927-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Plasmodium falciparum (isolate 3D7)) | BDBM25142
((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...)Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,26-,27-,29+,30-/m0/s1 | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.5 | 23 |
Harvard Medical School
| Assay Description
Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c... |
J Med Chem 52: 2185-7 (2009)
Article DOI: 10.1021/jm801654y
BindingDB Entry DOI: 10.7270/Q26H4FRD |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50187780
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N4-hyd...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)N(C)c1ccccc1)C(=O)NO Show InChI InChI=1S/C25H29N3O6S/c1-3-4-18-34-21-10-12-22(13-11-21)35(32,33)19-25(23(29)26-31)14-16-28(17-15-25)24(30)27(2)20-8-6-5-7-9-20/h5-13,31H,14-19H2,1-2H3,(H,26,29) | 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 |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem Lett 16: 3927-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50106136
(2-{[4-(4-Chloro-phenoxy)-benzenesulfonyl]-methyl-a...)Show SMILES CN(c1c(CN2CCN(C)CC2)cccc1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H29ClN4O5S/c1-29-14-16-31(17-15-29)18-19-4-3-5-24(26(32)28-33)25(19)30(2)37(34,35)23-12-10-22(11-13-23)36-21-8-6-20(27)7-9-21/h3-13,33H,14-18H2,1-2H3,(H,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Matrix metalloprotease-9. |
Bioorg Med Chem Lett 11: 2975-8 (2001)
BindingDB Entry DOI: 10.7270/Q2125T64 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50106130
(CHEMBL100512 | N-Hydroxy-2-[(4-methoxy-benzenesulf...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(C)CC2)cccc1C(=O)NO Show InChI InChI=1S/C21H28N4O5S/c1-23-11-13-25(14-12-23)15-16-5-4-6-19(21(26)22-27)20(16)24(2)31(28,29)18-9-7-17(30-3)8-10-18/h4-10,27H,11-15H2,1-3H3,(H,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Matrix metalloprotease-9. |
Bioorg Med Chem Lett 11: 2975-8 (2001)
BindingDB Entry DOI: 10.7270/Q2125T64 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50096472
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OCC(=O)NO)cccc1C(=O)NO Show InChI InChI=1S/C23H23N3O8S/c1-33-17-10-12-18(13-11-17)35(31,32)26(14-16-6-3-2-4-7-16)22-19(23(28)25-30)8-5-9-20(22)34-15-21(27)24-29/h2-13,29-30H,14-15H2,1H3,(H,24,27)(H,25,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-13 |
Bioorg Med Chem Lett 11: 235-8 (2001)
BindingDB Entry DOI: 10.7270/Q2TH8N78 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50187786
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1cccs1)C(=O)NO Show InChI InChI=1S/C22H24N2O6S2/c1-2-3-14-30-17-6-8-18(9-7-17)32(28,29)16-22(21(26)23-27)10-12-24(13-11-22)20(25)19-5-4-15-31-19/h4-9,15,27H,10-14,16H2,1H3,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem Lett 16: 3927-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50187783
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccc(C)cc1)C(=O)NO Show InChI InChI=1S/C25H28N2O6S/c1-3-4-17-33-21-9-11-22(12-10-21)34(31,32)18-25(24(29)26-30)13-15-27(16-14-25)23(28)20-7-5-19(2)6-8-20/h5-12,30H,13-18H2,1-2H3,(H,26,29) | 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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem Lett 16: 3927-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50187779
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N1,N1-...)Show SMILES CCN(CC)C(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C22H31N3O6S/c1-4-7-16-31-18-8-10-19(11-9-18)32(29,30)17-22(20(26)23-28)12-14-25(15-13-22)21(27)24(5-2)6-3/h8-11,28H,5-6,12-17H2,1-3H3,(H,23,26) | 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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem Lett 16: 3927-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM30136
(CHEMBL385821 | beta-sulfone piperidine hydroxamate...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCNCC1)C(=O)NO Show InChI InChI=1S/C17H22N2O5S/c1-2-3-12-24-14-4-6-15(7-5-14)25(22,23)13-17(16(20)19-21)8-10-18-11-9-17/h4-7,18,21H,8-13H2,1H3,(H,19,20) | 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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem Lett 16: 3927-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM23500
(4-({[4-(but-2-yn-1-yloxy)benzene]sulfonyl}methyl)-...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C(C)C)C(=O)NO Show InChI InChI=1S/C20H28N2O7S2/c1-4-5-14-29-17-6-8-18(9-7-17)30(25,26)15-20(19(23)21-24)10-12-22(13-11-20)31(27,28)16(2)3/h6-9,16,24H,10-15H2,1-3H3,(H,21,23) | 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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem Lett 16: 3927-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50187789
(1-(2-aminobenzoyl)-4-((4-(but-2-ynyloxy)phenylsulf...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1N)C(=O)NO Show InChI InChI=1S/C24H27N3O6S/c1-2-3-16-33-18-8-10-19(11-9-18)34(31,32)17-24(23(29)26-30)12-14-27(15-13-24)22(28)20-6-4-5-7-21(20)25/h4-11,30H,12-17,25H2,1H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem Lett 16: 3927-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 4
(Homo sapiens (Human)) | BDBM50199438
(CHEMBL3931873)Show InChI InChI=1S/C13H9N3O2S/c1-17-13-15-16-7-9(14-12(16)19-13)11-6-8-4-2-3-5-10(8)18-11/h2-7H,1H3 | UniProtKB/SwissProt
antibodypedia
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UniChem
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PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Antagonist activity at PAR4 (unknown origin) assessed as inhibition of activating peptide-induced receptor activation |
Bioorg Med Chem Lett 26: 5481-5486 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P55QGD |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Plasmodium falciparum (isolate 3D7)) | BDBM29589
(Faridak | LBH-589 | LBH-589B | Panobinostat | US10...)Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+ | KEGG
UniProtKB/TrEMBL
GoogleScholar
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| Purchase
MCE
PC cid
PC sid
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UniChem
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| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | 7.5 | 23 |
Harvard Medical School
| Assay Description
Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c... |
J Med Chem 52: 2185-7 (2009)
Article DOI: 10.1021/jm801654y
BindingDB Entry DOI: 10.7270/Q26H4FRD |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50187790
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-hexa...)Show SMILES CCCCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C23H32N2O6S/c1-3-5-7-8-21(26)25-15-13-23(14-16-25,22(27)24-28)18-32(29,30)20-11-9-19(10-12-20)31-17-6-4-2/h9-12,28H,3,5,7-8,13-18H2,1-2H3,(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem Lett 16: 3927-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50106147
(5-Bromo-N-hydroxy-2-[(4-methoxy-benzenesulfonyl)-m...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(C)CC2)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C21H27BrN4O5S/c1-24-8-10-26(11-9-24)14-15-12-16(22)13-19(21(27)23-28)20(15)25(2)32(29,30)18-6-4-17(31-3)5-7-18/h4-7,12-13,28H,8-11,14H2,1-3H3,(H,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
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PC sid
UniChem
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Matrix metalloprotease-9. |
Bioorg Med Chem Lett 11: 2975-8 (2001)
BindingDB Entry DOI: 10.7270/Q2125T64 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50111707
(5-Bromo-N-hydroxy-2-[(4-methoxy-benzenesulfonyl)-m...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(cc(Br)cc1C(=O)NO)C1CCN(C)CC1 Show InChI InChI=1S/C21H26BrN3O5S/c1-24-10-8-14(9-11-24)18-12-15(22)13-19(21(26)23-27)20(18)25(2)31(28,29)17-6-4-16(30-3)5-7-17/h4-7,12-14,27H,8-11H2,1-3H3,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-9 activity |
Bioorg Med Chem Lett 12: 1199-202 (2002)
BindingDB Entry DOI: 10.7270/Q2TB1662 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50106141
(4-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-5-(4-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(C)CC2)cc(cc1C(=O)NO)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C28H31F3N4O6S/c1-33-12-14-35(15-13-33)18-21-16-20(19-4-6-23(7-5-19)41-28(29,30)31)17-25(27(36)32-37)26(21)34(2)42(38,39)24-10-8-22(40-3)9-11-24/h4-11,16-17,37H,12-15,18H2,1-3H3,(H,32,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Matrix metalloprotease-9. |
Bioorg Med Chem Lett 11: 2975-8 (2001)
BindingDB Entry DOI: 10.7270/Q2125T64 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM16314
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22) | PDB
MMDB
Reactome pathway
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PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Alcon Laboratories, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against L-Hexonate Dehydrogenase (L-HDH) from rat kidney (RK) |
J Med Chem 34: 3229-34 (1991)
BindingDB Entry DOI: 10.7270/Q2QJ7HXM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50106145
(5-Bromo-N-hydroxy-2-{(4-methoxy-benzenesulfonyl)-[...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCN2CCCCC2)cc1)c1c(C)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C29H34BrN3O6S/c1-21-18-23(30)19-27(29(34)31-35)28(21)33(40(36,37)26-12-10-24(38-2)11-13-26)20-22-6-8-25(9-7-22)39-17-16-32-14-4-3-5-15-32/h6-13,18-19,35H,3-5,14-17,20H2,1-2H3,(H,31,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Matrix metalloprotease-9. |
Bioorg Med Chem Lett 11: 2975-8 (2001)
BindingDB Entry DOI: 10.7270/Q2125T64 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50187784
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1C)C(=O)NO Show InChI InChI=1S/C25H28N2O6S/c1-3-4-17-33-20-9-11-21(12-10-20)34(31,32)18-25(24(29)26-30)13-15-27(16-14-25)23(28)22-8-6-5-7-19(22)2/h5-12,30H,13-18H2,1-2H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem Lett 16: 3927-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50106131
(CHEMBL100777 | N-Hydroxy-2-[(4-methoxy-benzenesulf...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(C)CC2)cc(cc1C(=O)NO)-c1ccc2ccccc2c1 Show InChI InChI=1S/C31H34N4O5S/c1-33-14-16-35(17-15-33)21-26-19-25(24-9-8-22-6-4-5-7-23(22)18-24)20-29(31(36)32-37)30(26)34(2)41(38,39)28-12-10-27(40-3)11-13-28/h4-13,18-20,37H,14-17,21H2,1-3H3,(H,32,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Matrix metalloprotease-9. |
Bioorg Med Chem Lett 11: 2975-8 (2001)
BindingDB Entry DOI: 10.7270/Q2125T64 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50096472
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OCC(=O)NO)cccc1C(=O)NO Show InChI InChI=1S/C23H23N3O8S/c1-33-17-10-12-18(13-11-17)35(31,32)26(14-16-6-3-2-4-7-16)22-19(23(28)25-30)8-5-9-20(22)34-15-21(27)24-29/h2-13,29-30H,14-15H2,1H3,(H,24,27)(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
Bioorg Med Chem Lett 11: 235-8 (2001)
BindingDB Entry DOI: 10.7270/Q2TH8N78 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50187794
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(Cc2ccncc2)CC1)C(=O)NO Show InChI InChI=1S/C23H27N3O5S/c1-2-3-16-31-20-4-6-21(7-5-20)32(29,30)18-23(22(27)25-28)10-14-26(15-11-23)17-19-8-12-24-13-9-19/h4-9,12-13,28H,10-11,14-18H2,1H3,(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem Lett 16: 3927-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM30140
(CHEMBL380049 | beta-sulfone piperidine hydroxamate...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(C)=O)C(=O)NO Show InChI InChI=1S/C19H24N2O6S/c1-3-4-13-27-16-5-7-17(8-6-16)28(25,26)14-19(18(23)20-24)9-11-21(12-10-19)15(2)22/h5-8,24H,9-14H2,1-2H3,(H,20,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem Lett 16: 3927-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50187795
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccncc1)C(=O)NO Show InChI InChI=1S/C23H25N3O6S/c1-2-3-16-32-19-4-6-20(7-5-19)33(30,31)17-23(22(28)25-29)10-14-26(15-11-23)21(27)18-8-12-24-13-9-18/h4-9,12-13,29H,10-11,14-17H2,1H3,(H,25,28) | 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 | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem Lett 16: 3927-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50187788
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)C(C)(CO)CO)C(=O)NO Show InChI InChI=1S/C22H30N2O8S/c1-3-4-13-32-17-5-7-18(8-6-17)33(30,31)16-22(19(27)23-29)9-11-24(12-10-22)20(28)21(2,14-25)15-26/h5-8,25-26,29H,9-16H2,1-2H3,(H,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem Lett 16: 3927-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50187796
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-buty...)Show SMILES CCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C21H28N2O6S/c1-3-5-15-29-17-7-9-18(10-8-17)30(27,28)16-21(20(25)22-26)11-13-23(14-12-21)19(24)6-4-2/h7-10,26H,4,6,11-16H2,1-2H3,(H,22,25) | 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 | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem Lett 16: 3927-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50187781
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(but...)Show SMILES CCCCS(=O)(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C21H30N2O7S2/c1-3-5-15-30-18-7-9-19(10-8-18)31(26,27)17-21(20(24)22-25)11-13-23(14-12-21)32(28,29)16-6-4-2/h7-10,25H,4,6,11-17H2,1-2H3,(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 | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem Lett 16: 3927-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50187797
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(C)(=O)=O)C(=O)NO Show InChI InChI=1S/C18H24N2O7S2/c1-3-4-13-27-15-5-7-16(8-6-15)29(25,26)14-18(17(21)19-22)9-11-20(12-10-18)28(2,23)24/h5-8,22H,9-14H2,1-2H3,(H,19,21) | 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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem Lett 16: 3927-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50187799
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(cyc...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)C1CCCCC1)C(=O)NO Show InChI InChI=1S/C24H32N2O6S/c1-2-3-17-32-20-9-11-21(12-10-20)33(30,31)18-24(23(28)25-29)13-15-26(16-14-24)22(27)19-7-5-4-6-8-19/h9-12,19,29H,4-8,13-18H2,1H3,(H,25,28) | 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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem Lett 16: 3927-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50187793
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)c1ccccc1)C(=O)NO Show InChI InChI=1S/C23H26N2O7S2/c1-2-3-17-32-19-9-11-20(12-10-19)33(28,29)18-23(22(26)24-27)13-15-25(16-14-23)34(30,31)21-7-5-4-6-8-21/h4-12,27H,13-18H2,1H3,(H,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem Lett 16: 3927-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50106131
(CHEMBL100777 | N-Hydroxy-2-[(4-methoxy-benzenesulf...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(C)CC2)cc(cc1C(=O)NO)-c1ccc2ccccc2c1 Show InChI InChI=1S/C31H34N4O5S/c1-33-14-16-35(17-15-33)21-26-19-25(24-9-8-22-6-4-5-7-23(22)18-24)20-29(31(36)32-37)30(26)34(2)41(38,39)28-12-10-27(40-3)11-13-28/h4-13,18-20,37H,14-17,21H2,1-3H3,(H,32,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Matrix metalloprotease-13. |
Bioorg Med Chem Lett 11: 2975-8 (2001)
BindingDB Entry DOI: 10.7270/Q2125T64 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50106144
(5-Bromo-N-hydroxy-2-[(4-methoxy-benzenesulfonyl)-m...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(CC2)c2ccccc2)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C26H29BrN4O5S/c1-29(37(34,35)23-10-8-22(36-2)9-11-23)25-19(16-20(27)17-24(25)26(32)28-33)18-30-12-14-31(15-13-30)21-6-4-3-5-7-21/h3-11,16-17,33H,12-15,18H2,1-2H3,(H,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Matrix metalloprotease-9. |
Bioorg Med Chem Lett 11: 2975-8 (2001)
BindingDB Entry DOI: 10.7270/Q2125T64 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50106138
(2-[(4-Dimethylaminomethyl-benzyl)-(4-methoxy-benze...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(CN(C)C)cc1)c1c(C)cccc1C(=O)NO Show InChI InChI=1S/C25H29N3O5S/c1-18-6-5-7-23(25(29)26-30)24(18)28(17-20-10-8-19(9-11-20)16-27(2)3)34(31,32)22-14-12-21(33-4)13-15-22/h5-15,30H,16-17H2,1-4H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Matrix metalloprotease-9. |
Bioorg Med Chem Lett 11: 2975-8 (2001)
BindingDB Entry DOI: 10.7270/Q2125T64 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50106145
(5-Bromo-N-hydroxy-2-{(4-methoxy-benzenesulfonyl)-[...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCN2CCCCC2)cc1)c1c(C)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C29H34BrN3O6S/c1-21-18-23(30)19-27(29(34)31-35)28(21)33(40(36,37)26-12-10-24(38-2)11-13-26)20-22-6-8-25(9-7-22)39-17-16-32-14-4-3-5-15-32/h6-13,18-19,35H,3-5,14-17,20H2,1-2H3,(H,31,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Matrix metalloprotease-13. |
Bioorg Med Chem Lett 11: 2975-8 (2001)
BindingDB Entry DOI: 10.7270/Q2125T64 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50106144
(5-Bromo-N-hydroxy-2-[(4-methoxy-benzenesulfonyl)-m...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(CC2)c2ccccc2)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C26H29BrN4O5S/c1-29(37(34,35)23-10-8-22(36-2)9-11-23)25-19(16-20(27)17-24(25)26(32)28-33)18-30-12-14-31(15-13-30)21-6-4-3-5-7-21/h3-11,16-17,33H,12-15,18H2,1-2H3,(H,28,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Matrix metalloprotease-13. |
Bioorg Med Chem Lett 11: 2975-8 (2001)
BindingDB Entry DOI: 10.7270/Q2125T64 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50187792
(1-(benzylsulfonyl)-4-((4-(but-2-ynyloxy)phenylsulf...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C24H28N2O7S2/c1-2-3-17-33-21-9-11-22(12-10-21)34(29,30)19-24(23(27)25-28)13-15-26(16-14-24)35(31,32)18-20-7-5-4-6-8-20/h4-12,28H,13-19H2,1H3,(H,25,27) | 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 | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 16: 3927-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50187782
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)CN1CCOCC1)C(=O)NO Show InChI InChI=1S/C23H31N3O7S/c1-2-3-14-33-19-4-6-20(7-5-19)34(30,31)18-23(22(28)24-29)8-10-26(11-9-23)21(27)17-25-12-15-32-16-13-25/h4-7,29H,8-18H2,1H3,(H,24,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem Lett 16: 3927-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50096468
(CHEMBL76974 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)Show SMILES COC(=O)c1cccc(C(=O)NO)c1N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C22H21N3O7S/c1-31-16-8-10-17(11-9-16)33(29,30)25(14-15-5-4-12-23-13-15)20-18(21(26)24-28)6-3-7-19(20)22(27)32-2/h3-13,28H,14H2,1-2H3,(H,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-13 |
Bioorg Med Chem Lett 11: 235-8 (2001)
BindingDB Entry DOI: 10.7270/Q2TH8N78 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50096467
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC(C)(C)C(=O)NO)cccc1C(=O)NO Show InChI InChI=1S/C25H27N3O8S/c1-25(2,24(30)27-32)36-21-11-7-10-20(23(29)26-31)22(21)28(16-17-8-5-4-6-9-17)37(33,34)19-14-12-18(35-3)13-15-19/h4-15,31-32H,16H2,1-3H3,(H,26,29)(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
Bioorg Med Chem Lett 11: 235-8 (2001)
BindingDB Entry DOI: 10.7270/Q2TH8N78 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50187798
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N4-hyd...)Show SMILES CCCCCNC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C23H33N3O6S/c1-3-5-7-14-24-22(28)26-15-12-23(13-16-26,21(27)25-29)18-33(30,31)20-10-8-19(9-11-20)32-17-6-4-2/h8-11,29H,3,5,7,12-18H2,1-2H3,(H,24,28)(H,25,27) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TACE by FRET assay |
Bioorg Med Chem Lett 16: 3927-31 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.026
BindingDB Entry DOI: 10.7270/Q2222TCJ |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50106141
(4-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-5-(4-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(C)CC2)cc(cc1C(=O)NO)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C28H31F3N4O6S/c1-33-12-14-35(15-13-33)18-21-16-20(19-4-6-23(7-5-19)41-28(29,30)31)17-25(27(36)32-37)26(21)34(2)42(38,39)24-10-8-22(40-3)9-11-24/h4-11,16-17,37H,12-15,18H2,1-3H3,(H,32,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Matrix metalloprotease-13. |
Bioorg Med Chem Lett 11: 2975-8 (2001)
BindingDB Entry DOI: 10.7270/Q2125T64 |
More data for this
Ligand-Target Pair | |
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