Found 122 hits with Last Name = 'wagner' and Initial = 'cd' 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 |
|---|
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM27973
(6-Ethynylthieno[3,2-d]pyrimidine, 8 | N-{3-chloro-...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r| Show InChI InChI=1S/C25H20ClFN4OS/c26-21-12-19(7-9-23(21)32-14-16-3-1-4-17(27)11-16)31-25-24-22(29-15-30-25)13-20(33-24)8-6-18-5-2-10-28-18/h1,3-4,7,9,11-13,15,18,28H,2,5,10,14H2,(H,29,30,31)/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50287613
(1H-Benzotriazole-5-carboxylic acid [(R)-1-((S)-1-c...)Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)c1ccc2nn[nH]c2c1 Show InChI InChI=1S/C19H20N6O3S/c20-17(26)15(8-11-4-2-1-3-5-11)21-19(28)16(10-29)22-18(27)12-6-7-13-14(9-12)24-25-23-13/h1-7,9,15-16,29H,8,10H2,(H2,20,26)(H,21,28)(H,22,27)(H,23,24,25)/t15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human fibroblast collagenase (MMP-1) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM27974
(5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phen...)Show SMILES Nc1cnc(cn1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 Show InChI InChI=1S/C25H16ClFN6OS/c26-20-9-17(5-7-22(20)34-13-15-2-1-3-16(27)8-15)33-25-24-21(31-14-32-25)10-19(35-24)6-4-18-11-30-23(28)12-29-18/h1-3,5,7-12,14H,13H2,(H2,28,30)(H,31,32,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50287604
((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-mercapto-...)Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)Nc1ccccc1 Show InChI InChI=1S/C19H22N4O3S/c20-17(24)15(11-13-7-3-1-4-8-13)22-18(25)16(12-27)23-19(26)21-14-9-5-2-6-10-14/h1-10,15-16,27H,11-12H2,(H2,20,24)(H,22,25)(H2,21,23,26)/t15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against 92 kD gelatinase (MMP-9) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50287599
(1H-Benzotriazole-5-carboxylic acid [(R)-1-((S)-1-c...)Show SMILES NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](CS)NC(=O)c1ccc2nn[nH]c2c1 Show InChI InChI=1S/C18H19N7O3S/c19-16(26)14(6-10-2-1-5-20-8-10)21-18(28)15(9-29)22-17(27)11-3-4-12-13(7-11)24-25-23-12/h1-5,7-8,14-15,29H,6,9H2,(H2,19,26)(H,21,28)(H,22,27)(H,23,24,25)/t14-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human fibroblast collagenase (MMP-1) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM27971
(6-Ethynylthieno[3,2-d]pyrimidine, 6 | N-{3-chloro-...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C)cc2Cl)c1 Show InChI InChI=1S/C21H13ClFN3OS/c1-2-16-10-18-20(28-16)21(25-12-24-18)26-15-6-7-19(17(22)9-15)27-11-13-4-3-5-14(23)8-13/h1,3-10,12H,11H2,(H,24,25,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM27973
(6-Ethynylthieno[3,2-d]pyrimidine, 8 | N-{3-chloro-...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r| Show InChI InChI=1S/C25H20ClFN4OS/c26-21-12-19(7-9-23(21)32-14-16-3-1-4-17(27)11-16)31-25-24-22(29-15-30-25)13-20(33-24)8-6-18-5-2-10-28-18/h1,3-4,7,9,11-13,15,18,28H,2,5,10,14H2,(H,29,30,31)/t18-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50287602
(CHEMBL57056 | N-[(R)-1-((S)-1-Carbamoyl-2-phenyl-e...)Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)c1ccc(nc1)-n1cccc1 Show InChI InChI=1S/C22H23N5O3S/c23-20(28)17(12-15-6-2-1-3-7-15)25-22(30)18(14-31)26-21(29)16-8-9-19(24-13-16)27-10-4-5-11-27/h1-11,13,17-18,31H,12,14H2,(H2,23,28)(H,25,30)(H,26,29)/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against 92 kD gelatinase (MMP-9) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50287609
(Benzo[1,3]dioxole-5-carboxylic acid [(R)-1-((S)-1-...)Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C20H21N3O5S/c21-18(24)14(8-12-4-2-1-3-5-12)22-20(26)15(10-29)23-19(25)13-6-7-16-17(9-13)28-11-27-16/h1-7,9,14-15,29H,8,10-11H2,(H2,21,24)(H,22,26)(H,23,25)/t14-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against 92 kD gelatinase (MMP-9) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM27975
(6-Ethynylthieno[2,3-d]pyrimidine, 10 | N-{3-chloro...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)C#C)cc2Cl)c1 Show InChI InChI=1S/C21H13ClFN3OS/c1-2-16-10-17-20(24-12-25-21(17)28-16)26-15-6-7-19(18(22)9-15)27-11-13-4-3-5-14(23)8-13/h1,3-10,12H,11H2,(H,24,25,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50287617
(Biphenyl-4-carboxylic acid [(R)-1-((S)-1-carbamoyl...)Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H25N3O3S/c26-23(29)21(15-17-7-3-1-4-8-17)27-25(31)22(16-32)28-24(30)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1-14,21-22,32H,15-16H2,(H2,26,29)(H,27,31)(H,28,30)/t21-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against 92 kD gelatinase (MMP-9) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM27971
(6-Ethynylthieno[3,2-d]pyrimidine, 6 | N-{3-chloro-...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C)cc2Cl)c1 Show InChI InChI=1S/C21H13ClFN3OS/c1-2-16-10-18-20(28-16)21(25-12-24-18)26-15-6-7-19(17(22)9-15)27-11-13-4-3-5-14(23)8-13/h1,3-10,12H,11H2,(H,24,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50287613
(1H-Benzotriazole-5-carboxylic acid [(R)-1-((S)-1-c...)Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)c1ccc2nn[nH]c2c1 Show InChI InChI=1S/C19H20N6O3S/c20-17(26)15(8-11-4-2-1-3-5-11)21-19(28)16(10-29)22-18(27)12-6-7-13-14(9-12)24-25-23-13/h1-7,9,15-16,29H,8,10H2,(H2,20,26)(H,21,28)(H,22,27)(H,23,24,25)/t15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against 92 kD gelatinase (MMP-9) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50287611
(1H-Pyrazole-4-carboxylic acid [(R)-1-((S)-1-carbam...)Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)c1cn[nH]c1 Show InChI InChI=1S/C16H19N5O3S/c17-14(22)12(6-10-4-2-1-3-5-10)20-16(24)13(9-25)21-15(23)11-7-18-19-8-11/h1-5,7-8,12-13,25H,6,9H2,(H2,17,22)(H,18,19)(H,20,24)(H,21,23)/t12-,13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human fibroblast collagenase (MMP-1) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50287598
(1H-Pyrazole-4-carboxylic acid [(R)-1-((S)-1-carbam...)Show SMILES NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](CS)NC(=O)c1cn[nH]c1 Show InChI InChI=1S/C15H18N6O3S/c16-13(22)11(4-9-2-1-3-17-5-9)20-15(24)12(8-25)21-14(23)10-6-18-19-7-10/h1-3,5-7,11-12,25H,4,8H2,(H2,16,22)(H,18,19)(H,20,24)(H,21,23)/t11-,12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human fibroblast collagenase (MMP-1) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM27972
(6-Ethynylthieno[3,2-d]pyrimidine, 7 | 6-[(3S)-3-am...)Show SMILES C[C@H](N)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C23H18ClFN4OS/c1-14(26)5-7-18-11-20-22(31-18)23(28-13-27-20)29-17-6-8-21(19(24)10-17)30-12-15-3-2-4-16(25)9-15/h2-4,6,8-11,13-14H,12,26H2,1H3,(H,27,28,29)/t14-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50287596
(1H-Benzotriazole-5-carboxylic acid [(R)-1-((S)-1-c...)Show SMILES NC(=O)[C@H](Cc1cccs1)NC(=O)[C@H](CS)NC(=O)c1ccc2nn[nH]c2c1 Show InChI InChI=1S/C17H18N6O3S2/c18-15(24)13(7-10-2-1-5-28-10)19-17(26)14(8-27)20-16(25)9-3-4-11-12(6-9)22-23-21-11/h1-6,13-14,27H,7-8H2,(H2,18,24)(H,19,26)(H,20,25)(H,21,22,23)/t13-,14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human fibroblast collagenase (MMP-1) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50287600
((S)-2-[(R)-3-Mercapto-2-(2-phenoxy-acetylamino)-pr...)Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)COc1ccccc1 Show InChI InChI=1S/C20H23N3O4S/c21-19(25)16(11-14-7-3-1-4-8-14)23-20(26)17(13-28)22-18(24)12-27-15-9-5-2-6-10-15/h1-10,16-17,28H,11-13H2,(H2,21,25)(H,22,24)(H,23,26)/t16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against 92 kD gelatinase (MMP-9) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50287607
((S)-2-[(R)-3-Mercapto-2-(3-phenyl-propionylamino)-...)Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)CCc1ccccc1 Show InChI InChI=1S/C21H25N3O3S/c22-20(26)17(13-16-9-5-2-6-10-16)24-21(27)18(14-28)23-19(25)12-11-15-7-3-1-4-8-15/h1-10,17-18,28H,11-14H2,(H2,22,26)(H,23,25)(H,24,27)/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against 92 kD gelatinase (MMP-9) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50287610
((S)-2-[(R)-3-Mercapto-2-(2,2,2-trifluoro-acetylami...)Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)C(F)(F)F Show InChI InChI=1S/C14H16F3N3O3S/c15-14(16,17)13(23)20-10(7-24)12(22)19-9(11(18)21)6-8-4-2-1-3-5-8/h1-5,9-10,24H,6-7H2,(H2,18,21)(H,19,22)(H,20,23)/t9-,10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human fibroblast collagenase (MMP-1) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50287604
((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-mercapto-...)Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)Nc1ccccc1 Show InChI InChI=1S/C19H22N4O3S/c20-17(24)15(11-13-7-3-1-4-8-13)22-18(25)16(12-27)23-19(26)21-14-9-5-2-6-10-14/h1-10,15-16,27H,11-12H2,(H2,20,24)(H,22,25)(H2,21,23,26)/t15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human fibroblast collagenase (MMP-1) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50287597
(CHEMBL55931 | N-[(R)-1-((S)-1-Carbamoyl-2-phenyl-e...)Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)c1ccc(=O)[nH]c1 Show InChI InChI=1S/C18H20N4O4S/c19-16(24)13(8-11-4-2-1-3-5-11)21-18(26)14(10-27)22-17(25)12-6-7-15(23)20-9-12/h1-7,9,13-14,27H,8,10H2,(H2,19,24)(H,20,23)(H,21,26)(H,22,25)/t13-,14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against 92 kD gelatinase (MMP-9) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50287612
(CHEMBL293130 | N-[(R)-1-((S)-1-Carbamoyl-2-phenyl-...)Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)c1ccncc1 Show InChI InChI=1S/C18H20N4O3S/c19-16(23)14(10-12-4-2-1-3-5-12)21-18(25)15(11-26)22-17(24)13-6-8-20-9-7-13/h1-9,14-15,26H,10-11H2,(H2,19,23)(H,21,25)(H,22,24)/t14-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against 92 kD gelatinase (MMP-9) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50287599
(1H-Benzotriazole-5-carboxylic acid [(R)-1-((S)-1-c...)Show SMILES NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](CS)NC(=O)c1ccc2nn[nH]c2c1 Show InChI InChI=1S/C18H19N7O3S/c19-16(26)14(6-10-2-1-5-20-8-10)21-18(28)15(9-29)22-17(27)11-3-4-12-13(7-11)24-25-23-12/h1-5,7-8,14-15,29H,6,9H2,(H2,19,26)(H,21,28)(H,22,27)(H,23,24,25)/t14-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against 92 kD gelatinase (MMP-9) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM27976
(6-Ethynylthieno[2,3-d]pyrimidine, 11 | 6-[(3S)-3-a...)Show SMILES C[C@H](N)C#Cc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1 |r| Show InChI InChI=1S/C23H18ClFN4OS/c1-14(26)5-7-18-11-19-22(27-13-28-23(19)31-18)29-17-6-8-21(20(24)10-17)30-12-15-3-2-4-16(25)9-15/h2-4,6,8-11,13-14H,12,26H2,1H3,(H,27,28,29)/t14-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM27974
(5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phen...)Show SMILES Nc1cnc(cn1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 Show InChI InChI=1S/C25H16ClFN6OS/c26-20-9-17(5-7-22(20)34-13-15-2-1-3-16(27)8-15)33-25-24-21(31-14-32-25)10-19(35-24)6-4-18-11-30-23(28)12-29-18/h1-3,5,7-12,14H,13H2,(H2,28,30)(H,31,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50287615
(CHEMBL301413 | Thiophene-2-carboxylic acid [(R)-1-...)Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)c1cccs1 Show InChI InChI=1S/C17H19N3O3S2/c18-15(21)12(9-11-5-2-1-3-6-11)19-16(22)13(10-24)20-17(23)14-7-4-8-25-14/h1-8,12-13,24H,9-10H2,(H2,18,21)(H,19,22)(H,20,23)/t12-,13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against 92 kD gelatinase (MMP-9) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50415437
(CHEMBL598371)Show SMILES Fc1cc(Br)ccc1C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C15H11BrF4N2O3S/c16-10-2-3-11(12(17)7-10)14(23)21-5-6-26(24,25)13-4-1-9(8-22-13)15(18,19)20/h1-4,7-8H,5-6H2,(H,21,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human PPARdelta receptor by ligand displacement assay |
J Med Chem 53: 1857-61 (2010)
Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM27978
(5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phen...)Show SMILES Nc1cnc(cn1)C#Cc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1 Show InChI InChI=1S/C25H16ClFN6OS/c26-21-9-17(5-7-22(21)34-13-15-2-1-3-16(27)8-15)33-24-20-10-19(35-25(20)32-14-31-24)6-4-18-11-30-23(28)12-29-18/h1-3,5,7-12,14H,13H2,(H2,28,30)(H,31,32,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM27977
(6-Ethynylthieno[2,3-d]pyrimidine, 12 | N-{3-chloro...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r| Show InChI InChI=1S/C25H20ClFN4OS/c26-22-12-19(7-9-23(22)32-14-16-3-1-4-17(27)11-16)31-24-21-13-20(33-25(21)30-15-29-24)8-6-18-5-2-10-28-18/h1,3-4,7,9,11-13,15,18,28H,2,5,10,14H2,(H,29,30,31)/t18-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50287620
((S)-2-[(R)-3-Mercapto-2-(2,2,2-trifluoro-acetylami...)Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)C(F)(F)F Show InChI InChI=1S/C15H17F3N2O4S/c1-24-13(22)10(7-9-5-3-2-4-6-9)19-12(21)11(8-25)20-14(23)15(16,17)18/h2-6,10-11,25H,7-8H2,1H3,(H,19,21)(H,20,23)/t10-,11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human fibroblast collagenase (MMP-1) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM27972
(6-Ethynylthieno[3,2-d]pyrimidine, 7 | 6-[(3S)-3-am...)Show SMILES C[C@H](N)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C23H18ClFN4OS/c1-14(26)5-7-18-11-20-22(31-18)23(28-13-27-20)29-17-6-8-21(19(24)10-17)30-12-15-3-2-4-16(25)9-15/h2-4,6,8-11,13-14H,12,26H2,1H3,(H,27,28,29)/t14-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human)) | BDBM27973
(6-Ethynylthieno[3,2-d]pyrimidine, 8 | N-{3-chloro-...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r| Show InChI InChI=1S/C25H20ClFN4OS/c26-21-12-19(7-9-23(21)32-14-16-3-1-4-17(27)11-16)31-25-24-22(29-15-30-25)13-20(33-24)8-6-18-5-2-10-28-18/h1,3-4,7,9,11-13,15,18,28H,2,5,10,14H2,(H,29,30,31)/t18-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human)) | BDBM27971
(6-Ethynylthieno[3,2-d]pyrimidine, 6 | N-{3-chloro-...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C)cc2Cl)c1 Show InChI InChI=1S/C21H13ClFN3OS/c1-2-16-10-18-20(28-16)21(25-12-24-18)26-15-6-7-19(17(22)9-15)27-11-13-4-3-5-14(23)8-13/h1,3-10,12H,11H2,(H,24,25,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM27976
(6-Ethynylthieno[2,3-d]pyrimidine, 11 | 6-[(3S)-3-a...)Show SMILES C[C@H](N)C#Cc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1 |r| Show InChI InChI=1S/C23H18ClFN4OS/c1-14(26)5-7-18-11-19-22(27-13-28-23(19)31-18)29-17-6-8-21(20(24)10-17)30-12-15-3-2-4-16(25)9-15/h2-4,6,8-11,13-14H,12,26H2,1H3,(H,27,28,29)/t14-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50287598
(1H-Pyrazole-4-carboxylic acid [(R)-1-((S)-1-carbam...)Show SMILES NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](CS)NC(=O)c1cn[nH]c1 Show InChI InChI=1S/C15H18N6O3S/c16-13(22)11(4-9-2-1-3-17-5-9)20-15(24)12(8-25)21-14(23)10-6-18-19-7-10/h1-3,5-7,11-12,25H,4,8H2,(H2,16,22)(H,18,19)(H,20,24)(H,21,23)/t11-,12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against 92 kD gelatinase (MMP-9) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50287611
(1H-Pyrazole-4-carboxylic acid [(R)-1-((S)-1-carbam...)Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)c1cn[nH]c1 Show InChI InChI=1S/C16H19N5O3S/c17-14(22)12(6-10-4-2-1-3-5-10)20-16(24)13(9-25)21-15(23)11-7-18-19-8-11/h1-5,7-8,12-13,25H,6,9H2,(H2,17,22)(H,18,19)(H,20,24)(H,21,23)/t12-,13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against 92 kD gelatinase (MMP-9) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM27975
(6-Ethynylthieno[2,3-d]pyrimidine, 10 | N-{3-chloro...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)C#C)cc2Cl)c1 Show InChI InChI=1S/C21H13ClFN3OS/c1-2-16-10-17-20(24-12-25-21(17)28-16)26-15-6-7-19(18(22)9-15)27-11-13-4-3-5-14(23)8-13/h1,3-10,12H,11H2,(H,24,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50415437
(CHEMBL598371)Show SMILES Fc1cc(Br)ccc1C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C15H11BrF4N2O3S/c16-10-2-3-11(12(17)7-10)14(23)21-5-6-26(24,25)13-4-1-9(8-22-13)15(18,19)20/h1-4,7-8H,5-6H2,(H,21,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79.4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human PPARdelta ligand binding domain-mediated transcriptional activity in CV1 cells by Gal4 chimera reporter assay |
J Med Chem 53: 1857-61 (2010)
Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50287605
(CHEMBL57551 | N-[(R)-1-((S)-1-Carbamoyl-2-phenyl-e...)Show SMILES CN(C)c1ccc(cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C21H26N4O3S/c1-25(2)16-10-8-15(9-11-16)20(27)24-18(13-29)21(28)23-17(19(22)26)12-14-6-4-3-5-7-14/h3-11,17-18,29H,12-13H2,1-2H3,(H2,22,26)(H,23,28)(H,24,27)/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against 92 kD gelatinase (MMP-9) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50287616
(CHEMBL54176 | Thiophene-3-carboxylic acid [(R)-1-(...)Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)c1ccsc1 Show InChI InChI=1S/C17H19N3O3S2/c18-15(21)13(8-11-4-2-1-3-5-11)19-17(23)14(9-24)20-16(22)12-6-7-25-10-12/h1-7,10,13-14,24H,8-9H2,(H2,18,21)(H,19,23)(H,20,22)/t13-,14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against 92 kD gelatinase (MMP-9) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50287597
(CHEMBL55931 | N-[(R)-1-((S)-1-Carbamoyl-2-phenyl-e...)Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)c1ccc(=O)[nH]c1 Show InChI InChI=1S/C18H20N4O4S/c19-16(24)13(8-11-4-2-1-3-5-11)21-18(26)14(10-27)22-17(25)12-6-7-15(23)20-9-12/h1-7,9,13-14,27H,8,10H2,(H2,19,24)(H,20,23)(H,21,26)(H,22,25)/t13-,14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human fibroblast collagenase (MMP-1) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50287601
(CHEMBL300153 | Furan-3-carboxylic acid [(R)-1-((S)...)Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)c1ccoc1 Show InChI InChI=1S/C17H19N3O4S/c18-15(21)13(8-11-4-2-1-3-5-11)19-17(23)14(10-25)20-16(22)12-6-7-24-9-12/h1-7,9,13-14,25H,8,10H2,(H2,18,21)(H,19,23)(H,20,22)/t13-,14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against 92 kD gelatinase (MMP-9) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50287612
(CHEMBL293130 | N-[(R)-1-((S)-1-Carbamoyl-2-phenyl-...)Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)c1ccncc1 Show InChI InChI=1S/C18H20N4O3S/c19-16(23)14(10-12-4-2-1-3-5-12)21-18(25)15(11-26)22-17(24)13-6-8-20-9-7-13/h1-9,14-15,26H,10-11H2,(H2,19,23)(H,21,25)(H,22,24)/t14-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human fibroblast collagenase (MMP-1) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50415441
(CHEMBL604959)Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C16H12F6N2O4S/c17-15(18,19)11-3-6-13(24-9-11)29(26,27)8-7-23-14(25)10-1-4-12(5-2-10)28-16(20,21)22/h1-6,9H,7-8H2,(H,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human PPARdelta receptor by ligand displacement assay |
J Med Chem 53: 1857-61 (2010)
Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50287596
(1H-Benzotriazole-5-carboxylic acid [(R)-1-((S)-1-c...)Show SMILES NC(=O)[C@H](Cc1cccs1)NC(=O)[C@H](CS)NC(=O)c1ccc2nn[nH]c2c1 Show InChI InChI=1S/C17H18N6O3S2/c18-15(24)13(7-10-2-1-5-28-10)19-17(26)14(8-27)20-16(25)9-3-4-11-12(6-9)22-23-21-11/h1-6,13-14,27H,7-8H2,(H2,18,24)(H,19,26)(H,20,25)(H,21,22,23)/t13-,14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against 92 kD gelatinase (MMP-9) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50287615
(CHEMBL301413 | Thiophene-2-carboxylic acid [(R)-1-...)Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)c1cccs1 Show InChI InChI=1S/C17H19N3O3S2/c18-15(21)12(9-11-5-2-1-3-6-11)19-16(22)13(10-24)20-17(23)14-7-4-8-25-14/h1-8,12-13,24H,9-10H2,(H2,18,21)(H,19,22)(H,20,23)/t12-,13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human fibroblast collagenase (MMP-1) |
Bioorg Med Chem Lett 6: 1905-1910 (1996)
Article DOI: 10.1016/0960-894X(96)00333-2
BindingDB Entry DOI: 10.7270/Q26Q1X7D |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM27977
(6-Ethynylthieno[2,3-d]pyrimidine, 12 | N-{3-chloro...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r| Show InChI InChI=1S/C25H20ClFN4OS/c26-22-12-19(7-9-23(22)32-14-16-3-1-4-17(27)11-16)31-24-21-13-20(33-25(21)30-15-29-24)8-6-18-5-2-10-28-18/h1,3-4,7,9,11-13,15,18,28H,2,5,10,14H2,(H,29,30,31)/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 109 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | |
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