Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50013224 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 |
|---|
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50062351
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/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
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Reims Champagne-Ardenne
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-2 |
Bioorg Med Chem Lett 13: 1783-6 (2003)
BindingDB Entry DOI: 10.7270/Q2WH2PCT |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50062351
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/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
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Reims Champagne-Ardenne
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-1 |
Bioorg Med Chem Lett 13: 1783-6 (2003)
BindingDB Entry DOI: 10.7270/Q2WH2PCT |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50127864
((R)-3-[2-(1H-Indol-3-yl)-1-methylcarbamoyl-ethylca...)Show SMILES CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(O)=O Show InChI InChI=1S/C20H27N3O4/c1-12(2)8-13(10-18(24)25)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17?/m1/s1 | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Reims Champagne-Ardenne
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-1 |
Bioorg Med Chem Lett 13: 1783-6 (2003)
BindingDB Entry DOI: 10.7270/Q2WH2PCT |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50127863
((R)-2-[(4-methylphenyl)sulfonyl]Hydrazinocarbonylm...)Show SMILES CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C27H35N5O5S/c1-17(2)13-19(15-25(33)31-32-38(36,37)21-11-9-18(3)10-12-21)26(34)30-24(27(35)28-4)14-20-16-29-23-8-6-5-7-22(20)23/h5-12,16-17,19,24,29,32H,13-15H2,1-4H3,(H,28,35)(H,30,34)(H,31,33)/t19-,24?/m1/s1 | 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 | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Reims Champagne-Ardenne
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-1 |
Bioorg Med Chem Lett 13: 1783-6 (2003)
BindingDB Entry DOI: 10.7270/Q2WH2PCT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50127864
((R)-3-[2-(1H-Indol-3-yl)-1-methylcarbamoyl-ethylca...)Show SMILES CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(O)=O Show InChI InChI=1S/C20H27N3O4/c1-12(2)8-13(10-18(24)25)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17?/m1/s1 | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Reims Champagne-Ardenne
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-2 |
Bioorg Med Chem Lett 13: 1783-6 (2003)
BindingDB Entry DOI: 10.7270/Q2WH2PCT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50127863
((R)-2-[(4-methylphenyl)sulfonyl]Hydrazinocarbonylm...)Show SMILES CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C27H35N5O5S/c1-17(2)13-19(15-25(33)31-32-38(36,37)21-11-9-18(3)10-12-21)26(34)30-24(27(35)28-4)14-20-16-29-23-8-6-5-7-22(20)23/h5-12,16-17,19,24,29,32H,13-15H2,1-4H3,(H,28,35)(H,30,34)(H,31,33)/t19-,24?/m1/s1 | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Reims Champagne-Ardenne
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-2 |
Bioorg Med Chem Lett 13: 1783-6 (2003)
BindingDB Entry DOI: 10.7270/Q2WH2PCT |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50127867
(2-(R)-1-Hydrazinocarbonylmethyl-4-methyl-pentanoic...)Show SMILES CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NN Show InChI InChI=1S/C20H29N5O3/c1-12(2)8-13(10-18(26)25-21)19(27)24-17(20(28)22-3)9-14-11-23-16-7-5-4-6-15(14)16/h4-7,11-13,17,23H,8-10,21H2,1-3H3,(H,22,28)(H,24,27)(H,25,26)/t13-,17?/m1/s1 | 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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Reims Champagne-Ardenne
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-1 |
Bioorg Med Chem Lett 13: 1783-6 (2003)
BindingDB Entry DOI: 10.7270/Q2WH2PCT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50127862
((R)-N*1*-[2-(1H-Indol-3-yl)-1-methylcarbamoyl-ethy...)Show SMILES CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)Nc1ccccn1 Show InChI InChI=1S/C25H31N5O3/c1-16(2)12-17(14-23(31)30-22-10-6-7-11-27-22)24(32)29-21(25(33)26-3)13-18-15-28-20-9-5-4-8-19(18)20/h4-11,15-17,21,28H,12-14H2,1-3H3,(H,26,33)(H,29,32)(H,27,30,31)/t17-,21?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Reims Champagne-Ardenne
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-2 |
Bioorg Med Chem Lett 13: 1783-6 (2003)
BindingDB Entry DOI: 10.7270/Q2WH2PCT |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50127862
((R)-N*1*-[2-(1H-Indol-3-yl)-1-methylcarbamoyl-ethy...)Show SMILES CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)Nc1ccccn1 Show InChI InChI=1S/C25H31N5O3/c1-16(2)12-17(14-23(31)30-22-10-6-7-11-27-22)24(32)29-21(25(33)26-3)13-18-15-28-20-9-5-4-8-19(18)20/h4-11,15-17,21,28H,12-14H2,1-3H3,(H,26,33)(H,29,32)(H,27,30,31)/t17-,21?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Reims Champagne-Ardenne
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-1 |
Bioorg Med Chem Lett 13: 1783-6 (2003)
BindingDB Entry DOI: 10.7270/Q2WH2PCT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50127865
(4-Methyl-2-((R)-2-oxo-2-pyridin-2-yl-ethyl)-pentan...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)c1ccccn1 Show InChI InChI=1S/C25H30N4O3/c1-16(2)12-17(14-23(30)21-10-6-7-11-27-21)24(31)29-22(25(32)26-3)13-18-15-28-20-9-5-4-8-19(18)20/h4-11,15-17,22,28H,12-14H2,1-3H3,(H,26,32)(H,29,31)/t17-,22+/m1/s1 | 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 | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Reims Champagne-Ardenne
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-2 |
Bioorg Med Chem Lett 13: 1783-6 (2003)
BindingDB Entry DOI: 10.7270/Q2WH2PCT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50127866
(4-Methyl-2-[(R)-2-oxo-2-(1H-pyrrol-2-yl)-ethyl]-pe...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)c1ccc[nH]1 Show InChI InChI=1S/C24H30N4O3/c1-15(2)11-16(13-22(29)20-9-6-10-26-20)23(30)28-21(24(31)25-3)12-17-14-27-19-8-5-4-7-18(17)19/h4-10,14-16,21,26-27H,11-13H2,1-3H3,(H,25,31)(H,28,30)/t16-,21+/m1/s1 | 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 | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Reims Champagne-Ardenne
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-2 |
Bioorg Med Chem Lett 13: 1783-6 (2003)
BindingDB Entry DOI: 10.7270/Q2WH2PCT |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50127867
(2-(R)-1-Hydrazinocarbonylmethyl-4-methyl-pentanoic...)Show SMILES CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NN Show InChI InChI=1S/C20H29N5O3/c1-12(2)8-13(10-18(26)25-21)19(27)24-17(20(28)22-3)9-14-11-23-16-7-5-4-6-15(14)16/h4-7,11-13,17,23H,8-10,21H2,1-3H3,(H,22,28)(H,24,27)(H,25,26)/t13-,17?/m1/s1 | 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 | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Reims Champagne-Ardenne
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-2 |
Bioorg Med Chem Lett 13: 1783-6 (2003)
BindingDB Entry DOI: 10.7270/Q2WH2PCT |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50127865
(4-Methyl-2-((R)-2-oxo-2-pyridin-2-yl-ethyl)-pentan...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)c1ccccn1 Show InChI InChI=1S/C25H30N4O3/c1-16(2)12-17(14-23(30)21-10-6-7-11-27-21)24(31)29-22(25(32)26-3)13-18-15-28-20-9-5-4-8-19(18)20/h4-11,15-17,22,28H,12-14H2,1-3H3,(H,26,32)(H,29,31)/t17-,22+/m1/s1 | 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 | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Reims Champagne-Ardenne
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-1 |
Bioorg Med Chem Lett 13: 1783-6 (2003)
BindingDB Entry DOI: 10.7270/Q2WH2PCT |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50127866
(4-Methyl-2-[(R)-2-oxo-2-(1H-pyrrol-2-yl)-ethyl]-pe...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)c1ccc[nH]1 Show InChI InChI=1S/C24H30N4O3/c1-15(2)11-16(13-22(29)20-9-6-10-26-20)23(30)28-21(24(31)25-3)12-17-14-27-19-8-5-4-7-18(17)19/h4-10,14-16,21,26-27H,11-13H2,1-3H3,(H,25,31)(H,28,30)/t16-,21+/m1/s1 | 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 | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Reims Champagne-Ardenne
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-1 |
Bioorg Med Chem Lett 13: 1783-6 (2003)
BindingDB Entry DOI: 10.7270/Q2WH2PCT |
More data for this
Ligand-Target Pair | |
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