Found 1135 hits with Last Name = 'billedeau' and Initial = 'r' 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 |
|---|
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50086884
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-9-oxo-1,8-di...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C25H36N4O4/c1-17(2)13-18(15-23(30)28-33)24(31)27-21-14-19-16-29(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21,33H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50086884
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-9-oxo-1,8-di...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C25H36N4O4/c1-17(2)13-18(15-23(30)28-33)24(31)27-21-14-19-16-29(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21,33H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil gelatinase, matrix metalloproteinase-2 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50284753
((R)-N*1*-[(S)-1-Hexylcarbamoyl-2-(1H-indol-3-yl)-e...)Show SMILES CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C25H38N4O4/c1-4-5-6-9-12-26-25(32)22(14-19-16-27-21-11-8-7-10-20(19)21)28-24(31)18(13-17(2)3)15-23(30)29-33/h7-8,10-11,16-18,22,27,33H,4-6,9,12-15H2,1-3H3,(H,26,32)(H,28,31)(H,29,30)/t18-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil gelatinase, matrix metalloproteinase-2 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50086884
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-9-oxo-1,8-di...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C25H36N4O4/c1-17(2)13-18(15-23(30)28-33)24(31)27-21-14-19-16-29(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21,33H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-8 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50063918
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50284753
((R)-N*1*-[(S)-1-Hexylcarbamoyl-2-(1H-indol-3-yl)-e...)Show SMILES CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C25H38N4O4/c1-4-5-6-9-12-26-25(32)22(14-19-16-27-21-11-8-7-10-20(19)21)28-24(31)18(13-17(2)3)15-23(30)29-33/h7-8,10-11,16-18,22,27,33H,4-6,9,12-15H2,1-3H3,(H,26,32)(H,28,31)(H,29,30)/t18-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-8 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50284755
(2-[(Formyl-hydroxy-amino)-methyl]-4-methyl-pentano...)Show SMILES CC(C)C[C@H](CN(O)C=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C25H36N4O4/c1-18(2)13-20(16-29(33)17-30)24(31)27-22-14-19-15-28(23-10-6-5-9-21(19)23)12-8-4-3-7-11-26-25(22)32/h5-6,9-10,15,17-18,20,22,33H,3-4,7-8,11-14,16H2,1-2H3,(H,26,32)(H,27,31)/t20-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50284755
(2-[(Formyl-hydroxy-amino)-methyl]-4-methyl-pentano...)Show SMILES CC(C)C[C@H](CN(O)C=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C25H36N4O4/c1-18(2)13-20(16-29(33)17-30)24(31)27-22-14-19-15-28(23-10-6-5-9-21(19)23)12-8-4-3-7-11-26-25(22)32/h5-6,9-10,15,17-18,20,22,33H,3-4,7-8,11-14,16H2,1-2H3,(H,26,32)(H,27,31)/t20-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil gelatinase, matrix metalloproteinase-2 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50284754
((S)-2-Mercaptomethyl-4-methyl-pentanoic acid ((S)-...)Show SMILES CC(C)C[C@H](CS)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C24H35N3O2S/c1-17(2)13-19(16-30)23(28)26-21-14-18-15-27(22-10-6-5-9-20(18)22)12-8-4-3-7-11-25-24(21)29/h5-6,9-10,15,17,19,21,30H,3-4,7-8,11-14,16H2,1-2H3,(H,25,29)(H,26,28)/t19-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50284753
((R)-N*1*-[(S)-1-Hexylcarbamoyl-2-(1H-indol-3-yl)-e...)Show SMILES CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C25H38N4O4/c1-4-5-6-9-12-26-25(32)22(14-19-16-27-21-11-8-7-10-20(19)21)28-24(31)18(13-17(2)3)15-23(30)29-33/h7-8,10-11,16-18,22,27,33H,4-6,9,12-15H2,1-3H3,(H,26,32)(H,28,31)(H,29,30)/t18-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50086884
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-9-oxo-1,8-di...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C25H36N4O4/c1-17(2)13-18(15-23(30)28-33)24(31)27-21-14-19-16-29(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21,33H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-7 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50284751
(CHEMBL30804 | [(S)-4-Methyl-2-((S)-9-oxo-1,8-diaza...)Show SMILES CC(C)C[C@H](CP(O)(=O)CSc1ccc2ccccc2n1)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C34H43N4O4PS/c1-24(2)19-27(22-43(41,42)23-44-32-16-15-25-11-5-7-13-29(25)36-32)33(39)37-30-20-26-21-38(31-14-8-6-12-28(26)31)18-10-4-3-9-17-35-34(30)40/h5-8,11-16,21,24,27,30H,3-4,9-10,17-20,22-23H2,1-2H3,(H,35,40)(H,37,39)(H,41,42)/t27-,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-8 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50284753
((R)-N*1*-[(S)-1-Hexylcarbamoyl-2-(1H-indol-3-yl)-e...)Show SMILES CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C25H38N4O4/c1-4-5-6-9-12-26-25(32)22(14-19-16-27-21-11-8-7-10-20(19)21)28-24(31)18(13-17(2)3)15-23(30)29-33/h7-8,10-11,16-18,22,27,33H,4-6,9,12-15H2,1-3H3,(H,26,32)(H,28,31)(H,29,30)/t18-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-7 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50284751
(CHEMBL30804 | [(S)-4-Methyl-2-((S)-9-oxo-1,8-diaza...)Show SMILES CC(C)C[C@H](CP(O)(=O)CSc1ccc2ccccc2n1)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C34H43N4O4PS/c1-24(2)19-27(22-43(41,42)23-44-32-16-15-25-11-5-7-13-29(25)36-32)33(39)37-30-20-26-21-38(31-14-8-6-12-28(26)31)18-10-4-3-9-17-35-34(30)40/h5-8,11-16,21,24,27,30H,3-4,9-10,17-20,22-23H2,1-2H3,(H,35,40)(H,37,39)(H,41,42)/t27-,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50086884
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-9-oxo-1,8-di...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C25H36N4O4/c1-17(2)13-18(15-23(30)28-33)24(31)27-21-14-19-16-29(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21,33H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50284751
(CHEMBL30804 | [(S)-4-Methyl-2-((S)-9-oxo-1,8-diaza...)Show SMILES CC(C)C[C@H](CP(O)(=O)CSc1ccc2ccccc2n1)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C34H43N4O4PS/c1-24(2)19-27(22-43(41,42)23-44-32-16-15-25-11-5-7-13-29(25)36-32)33(39)37-30-20-26-21-38(31-14-8-6-12-28(26)31)18-10-4-3-9-17-35-34(30)40/h5-8,11-16,21,24,27,30H,3-4,9-10,17-20,22-23H2,1-2H3,(H,35,40)(H,37,39)(H,41,42)/t27-,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil gelatinase, matrix metalloproteinase-2 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50284756
((R)-5-Methyl-3-((S)-9-oxo-1,8-diaza-tricyclo[10.6....)Show SMILES CC(C)C[C@H](CC(O)=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C25H35N3O4/c1-17(2)13-18(15-23(29)30)24(31)27-21-14-19-16-28(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,29,30)/t18-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-8 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50284755
(2-[(Formyl-hydroxy-amino)-methyl]-4-methyl-pentano...)Show SMILES CC(C)C[C@H](CN(O)C=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C25H36N4O4/c1-18(2)13-20(16-29(33)17-30)24(31)27-22-14-19-15-28(23-10-6-5-9-21(19)23)12-8-4-3-7-11-26-25(22)32/h5-6,9-10,15,17-18,20,22,33H,3-4,7-8,11-14,16H2,1-2H3,(H,26,32)(H,27,31)/t20-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50284755
(2-[(Formyl-hydroxy-amino)-methyl]-4-methyl-pentano...)Show SMILES CC(C)C[C@H](CN(O)C=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C25H36N4O4/c1-18(2)13-20(16-29(33)17-30)24(31)27-22-14-19-15-28(23-10-6-5-9-21(19)23)12-8-4-3-7-11-26-25(22)32/h5-6,9-10,15,17-18,20,22,33H,3-4,7-8,11-14,16H2,1-2H3,(H,26,32)(H,27,31)/t20-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-7 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50284750
((R)-2-[(S)-3-Methyl-1-((S)-9-oxo-1,8-diaza-tricycl...)Show SMILES CC[C@@H](N[C@@H](CC(C)C)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21)C(O)=O Show InChI InChI=1S/C27H40N4O4/c1-4-21(27(34)35)29-22(15-18(2)3)26(33)30-23-16-19-17-31(24-12-8-7-11-20(19)24)14-10-6-5-9-13-28-25(23)32/h7-8,11-12,17-18,21-23,29H,4-6,9-10,13-16H2,1-3H3,(H,28,32)(H,30,33)(H,34,35)/t21-,22+,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50284756
((R)-5-Methyl-3-((S)-9-oxo-1,8-diaza-tricyclo[10.6....)Show SMILES CC(C)C[C@H](CC(O)=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C25H35N3O4/c1-17(2)13-18(15-23(29)30)24(31)27-21-14-19-16-28(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,29,30)/t18-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50284751
(CHEMBL30804 | [(S)-4-Methyl-2-((S)-9-oxo-1,8-diaza...)Show SMILES CC(C)C[C@H](CP(O)(=O)CSc1ccc2ccccc2n1)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C34H43N4O4PS/c1-24(2)19-27(22-43(41,42)23-44-32-16-15-25-11-5-7-13-29(25)36-32)33(39)37-30-20-26-21-38(31-14-8-6-12-28(26)31)18-10-4-3-9-17-35-34(30)40/h5-8,11-16,21,24,27,30H,3-4,9-10,17-20,22-23H2,1-2H3,(H,35,40)(H,37,39)(H,41,42)/t27-,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-7 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50284752
(CHEMBL31164 | {(S)-2-[(S)-1-Hexylcarbamoyl-2-(1H-i...)Show SMILES CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CP(O)(=O)CSc1ccc2ccccc2n1 Show InChI InChI=1S/C34H45N4O4PS/c1-4-5-6-11-18-35-34(40)31(20-26-21-36-30-15-10-8-13-28(26)30)38-33(39)27(19-24(2)3)22-43(41,42)23-44-32-17-16-25-12-7-9-14-29(25)37-32/h7-10,12-17,21,24,27,31,36H,4-6,11,18-20,22-23H2,1-3H3,(H,35,40)(H,38,39)(H,41,42)/t27-,31+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 102 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-8 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50284754
((S)-2-Mercaptomethyl-4-methyl-pentanoic acid ((S)-...)Show SMILES CC(C)C[C@H](CS)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C24H35N3O2S/c1-17(2)13-19(16-30)23(28)26-21-14-18-15-27(22-10-6-5-9-20(18)22)12-8-4-3-7-11-25-24(21)29/h5-6,9-10,15,17,19,21,30H,3-4,7-8,11-14,16H2,1-2H3,(H,25,29)(H,26,28)/t19-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 114 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-7 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50284756
((R)-5-Methyl-3-((S)-9-oxo-1,8-diaza-tricyclo[10.6....)Show SMILES CC(C)C[C@H](CC(O)=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C25H35N3O4/c1-17(2)13-18(15-23(29)30)24(31)27-21-14-19-16-28(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,29,30)/t18-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| 115 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil gelatinase, matrix metalloproteinase-2 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50284757
((R)-3-[(S)-1-Hexylcarbamoyl-2-(1H-indol-3-yl)-ethy...)Show SMILES CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(O)=O Show InChI InChI=1S/C25H37N3O4/c1-4-5-6-9-12-26-25(32)22(14-19-16-27-21-11-8-7-10-20(19)21)28-24(31)18(13-17(2)3)15-23(29)30/h7-8,10-11,16-18,22,27H,4-6,9,12-15H2,1-3H3,(H,26,32)(H,28,31)(H,29,30)/t18-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 163 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-8 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50284757
((R)-3-[(S)-1-Hexylcarbamoyl-2-(1H-indol-3-yl)-ethy...)Show SMILES CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(O)=O Show InChI InChI=1S/C25H37N3O4/c1-4-5-6-9-12-26-25(32)22(14-19-16-27-21-11-8-7-10-20(19)21)28-24(31)18(13-17(2)3)15-23(29)30/h7-8,10-11,16-18,22,27H,4-6,9,12-15H2,1-3H3,(H,26,32)(H,28,31)(H,29,30)/t18-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 171 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50284752
(CHEMBL31164 | {(S)-2-[(S)-1-Hexylcarbamoyl-2-(1H-i...)Show SMILES CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CP(O)(=O)CSc1ccc2ccccc2n1 Show InChI InChI=1S/C34H45N4O4PS/c1-4-5-6-11-18-35-34(40)31(20-26-21-36-30-15-10-8-13-28(26)30)38-33(39)27(19-24(2)3)22-43(41,42)23-44-32-17-16-25-12-7-9-14-29(25)37-32/h7-10,12-17,21,24,27,31,36H,4-6,11,18-20,22-23H2,1-3H3,(H,35,40)(H,38,39)(H,41,42)/t27-,31+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil gelatinase, matrix metalloproteinase-2 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50284752
(CHEMBL31164 | {(S)-2-[(S)-1-Hexylcarbamoyl-2-(1H-i...)Show SMILES CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CP(O)(=O)CSc1ccc2ccccc2n1 Show InChI InChI=1S/C34H45N4O4PS/c1-4-5-6-11-18-35-34(40)31(20-26-21-36-30-15-10-8-13-28(26)30)38-33(39)27(19-24(2)3)22-43(41,42)23-44-32-17-16-25-12-7-9-14-29(25)37-32/h7-10,12-17,21,24,27,31,36H,4-6,11,18-20,22-23H2,1-3H3,(H,35,40)(H,38,39)(H,41,42)/t27-,31+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 432 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50284757
((R)-3-[(S)-1-Hexylcarbamoyl-2-(1H-indol-3-yl)-ethy...)Show SMILES CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(O)=O Show InChI InChI=1S/C25H37N3O4/c1-4-5-6-9-12-26-25(32)22(14-19-16-27-21-11-8-7-10-20(19)21)28-24(31)18(13-17(2)3)15-23(29)30/h7-8,10-11,16-18,22,27H,4-6,9,12-15H2,1-3H3,(H,26,32)(H,28,31)(H,29,30)/t18-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 472 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil gelatinase, matrix metalloproteinase-2 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50284757
((R)-3-[(S)-1-Hexylcarbamoyl-2-(1H-indol-3-yl)-ethy...)Show SMILES CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(O)=O Show InChI InChI=1S/C25H37N3O4/c1-4-5-6-9-12-26-25(32)22(14-19-16-27-21-11-8-7-10-20(19)21)28-24(31)18(13-17(2)3)15-23(29)30/h7-8,10-11,16-18,22,27H,4-6,9,12-15H2,1-3H3,(H,26,32)(H,28,31)(H,29,30)/t18-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| >620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-7 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50284754
((S)-2-Mercaptomethyl-4-methyl-pentanoic acid ((S)-...)Show SMILES CC(C)C[C@H](CS)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C24H35N3O2S/c1-17(2)13-19(16-30)23(28)26-21-14-18-15-27(22-10-6-5-9-20(18)22)12-8-4-3-7-11-25-24(21)29/h5-6,9-10,15,17,19,21,30H,3-4,7-8,11-14,16H2,1-2H3,(H,25,29)(H,26,28)/t19-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| >800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50284751
(CHEMBL30804 | [(S)-4-Methyl-2-((S)-9-oxo-1,8-diaza...)Show SMILES CC(C)C[C@H](CP(O)(=O)CSc1ccc2ccccc2n1)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C34H43N4O4PS/c1-24(2)19-27(22-43(41,42)23-44-32-16-15-25-11-5-7-13-29(25)36-32)33(39)37-30-20-26-21-38(31-14-8-6-12-28(26)31)18-10-4-3-9-17-35-34(30)40/h5-8,11-16,21,24,27,30H,3-4,9-10,17-20,22-23H2,1-2H3,(H,35,40)(H,37,39)(H,41,42)/t27-,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 806 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50284756
((R)-5-Methyl-3-((S)-9-oxo-1,8-diaza-tricyclo[10.6....)Show SMILES CC(C)C[C@H](CC(O)=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C25H35N3O4/c1-17(2)13-18(15-23(29)30)24(31)27-21-14-19-16-28(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,29,30)/t18-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
| 850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-7 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Matrilysin
(Homo sapiens (Human)) | BDBM50284752
(CHEMBL31164 | {(S)-2-[(S)-1-Hexylcarbamoyl-2-(1H-i...)Show SMILES CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CP(O)(=O)CSc1ccc2ccccc2n1 Show InChI InChI=1S/C34H45N4O4PS/c1-4-5-6-11-18-35-34(40)31(20-26-21-36-30-15-10-8-13-28(26)30)38-33(39)27(19-24(2)3)22-43(41,42)23-44-32-17-16-25-12-7-9-14-29(25)37-32/h7-10,12-17,21,24,27,31,36H,4-6,11,18-20,22-23H2,1-3H3,(H,35,40)(H,38,39)(H,41,42)/t27-,31+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-7 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50284758
((2S,3R)-5-Methyl-3-((S)-1-methylcarbamoyl-2-phenyl...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(O)=O Show InChI InChI=1S/C23H30N2O4S2/c1-15(2)12-17(18(23(28)29)14-31-20-10-7-11-30-20)21(26)25-19(22(27)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19H,12-14H2,1-3H3,(H,24,27)(H,25,26)(H,28,29)/t17-,18+,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50284750
((R)-2-[(S)-3-Methyl-1-((S)-9-oxo-1,8-diaza-tricycl...)Show SMILES CC[C@@H](N[C@@H](CC(C)C)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21)C(O)=O Show InChI InChI=1S/C27H40N4O4/c1-4-21(27(34)35)29-22(15-18(2)3)26(33)30-23-16-19-17-31(24-12-8-7-11-20(19)24)14-10-6-5-9-13-28-25(23)32/h7-8,11-12,17-18,21-23,29H,4-6,9-10,13-16H2,1-3H3,(H,28,32)(H,30,33)(H,34,35)/t21-,22+,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-7 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50284756
((R)-5-Methyl-3-((S)-9-oxo-1,8-diaza-tricyclo[10.6....)Show SMILES CC(C)C[C@H](CC(O)=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21 Show InChI InChI=1S/C25H35N3O4/c1-17(2)13-18(15-23(29)30)24(31)27-21-14-19-16-28(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,29,30)/t18-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50284752
(CHEMBL31164 | {(S)-2-[(S)-1-Hexylcarbamoyl-2-(1H-i...)Show SMILES CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CP(O)(=O)CSc1ccc2ccccc2n1 Show InChI InChI=1S/C34H45N4O4PS/c1-4-5-6-11-18-35-34(40)31(20-26-21-36-30-15-10-8-13-28(26)30)38-33(39)27(19-24(2)3)22-43(41,42)23-44-32-17-16-25-12-7-9-14-29(25)37-32/h7-10,12-17,21,24,27,31,36H,4-6,11,18-20,22-23H2,1-3H3,(H,35,40)(H,38,39)(H,41,42)/t27-,31+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 6.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50284750
((R)-2-[(S)-3-Methyl-1-((S)-9-oxo-1,8-diaza-tricycl...)Show SMILES CC[C@@H](N[C@@H](CC(C)C)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21)C(O)=O Show InChI InChI=1S/C27H40N4O4/c1-4-21(27(34)35)29-22(15-18(2)3)26(33)30-23-16-19-17-31(24-12-8-7-11-20(19)24)14-10-6-5-9-13-28-25(23)32/h7-8,11-12,17-18,21-23,29H,4-6,9-10,13-16H2,1-3H3,(H,28,32)(H,30,33)(H,34,35)/t21-,22+,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3 |
Bioorg Med Chem Lett 5: 1415-1420 (1995)
Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH |
More data for this
Ligand-Target Pair | |
5'-nucleotidase
(Homo sapiens (Human)) | BDBM511228
(2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...)Show SMILES CCCN1CCCN(C1=O)c1ccc(CC(OC[C@H]2O[C@H]([C@H](O)[C@@]2(O)C#C)n2cnc3c(N)nc(Cl)nc23)(C(O)=O)C(O)=O)cc1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MW2M9D |
More data for this
Ligand-Target Pair | |
5'-nucleotidase
(Homo sapiens (Human)) | BDBM511078
(2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...)Show SMILES COCn1cccc(-c2ccc(CC(OC[C@H]3O[C@H]([C@H](O)[C@@]3(O)C#C)n3cnc4c(N)nc(Cl)nc34)(C(O)=O)C(O)=O)cc2)c1=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MW2M9D |
More data for this
Ligand-Target Pair | |
5'-nucleotidase
(Homo sapiens (Human)) | BDBM511224
(2-(((2R,3S,4R,5R)-5-(2-chloro-6-(methylamino)-9H-p...)Show SMILES CNc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)N2CCCN(C)C2=O)(C(O)=O)C(O)=O)[C@](O)(C#C)[C@H]1O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MW2M9D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122415
(US8729078, I-25)Show SMILES CN1CCn2nc(Nc3nn(cc3C(N)=O)-c3cccc(c3CO)-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)cc2C1 Show InChI InChI=1S/C30H32FN9O3/c1-30(2,3)18-10-17-13-33-40(29(43)26(17)22(31)11-18)24-7-5-6-23(21(24)16-41)39-15-20(27(32)42)28(36-39)34-25-12-19-14-37(4)8-9-38(19)35-25/h5-7,10-13,15,41H,8-9,14,16H2,1-4H3,(H2,32,42)(H,34,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122417
(US8729078, I-27)Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cc4)S(C)(=O)=O)n3)c2=O)c1 Show InChI InChI=1S/C30H29FN6O5S/c1-30(2,3)18-12-17-14-33-37(29(40)26(17)23(31)13-18)25-7-5-6-24(22(25)16-38)36-15-21(27(32)39)28(35-36)34-19-8-10-20(11-9-19)43(4,41)42/h5-15,38H,16H2,1-4H3,(H2,32,39)(H,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this
Ligand-Target Pair | |
5'-nucleotidase
(Homo sapiens (Human)) | BDBM511079
(2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...)Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)-c2ccc[nH]c2=O)(C(O)=O)C(O)=O)[C@](O)(C#C)[C@H]1O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MW2M9D |
More data for this
Ligand-Target Pair | |
5'-nucleotidase
(Homo sapiens (Human)) | BDBM511225
(2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...)Show SMILES CN1CCCN(C1=O)c1ccc(CC(OC[C@H]2O[C@H]([C@H](O)[C@@]2(O)C#C)n2cnc3c(N)nc(Cl)nc23)(C(O)=O)C(O)=O)cc1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MW2M9D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122442
(US8729078, I-53)Show SMILES CC(=O)c1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(ccc3c2=O)C(C)(C)C)cc1 Show InChI InChI=1S/C31H30N6O4/c1-18(39)19-8-11-22(12-9-19)34-29-24(28(32)40)16-36(35-29)26-6-5-7-27(25(26)17-38)37-30(41)23-13-10-21(31(2,3)4)14-20(23)15-33-37/h5-16,38H,17H2,1-4H3,(H2,32,40)(H,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this
Ligand-Target Pair | |
5'-nucleotidase
(Homo sapiens (Human)) | BDBM511215
(2-(((2R,3S,4R,5R)-5-(2-chloro-6-(isopropylamino)-9...)Show SMILES CC(C)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)N2CCCN(CCO)C2=O)(C(O)=O)C(O)=O)[C@](O)(C#C)[C@H]1O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MW2M9D |
More data for this
Ligand-Target Pair | |
5'-nucleotidase
(Homo sapiens (Human)) | BDBM511232
(2-(((2R,3S,4R,5R)-5-(5-chloro-7-((2,4-dimethoxyben...)Show SMILES COc1ccc(CNc2cc(Cl)nc3n(cnc23)[C@@H]2O[C@H](COC(Cc3ccc(cc3)N3CCCNC3=O)(C(O)=O)C(O)=O)[C@](O)(C#C)[C@H]2O)c(OC)c1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MW2M9D |
More data for this
Ligand-Target Pair | |
Search and Browse
