Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50013871 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 | 0.104 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR/CNRS 6013
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloproteinase-2 |
Bioorg Med Chem Lett 13: 2843-6 (2003)
BindingDB Entry DOI: 10.7270/Q2PN952R |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(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 | 0.191 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR/CNRS 6013
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloproteinase-3 |
Bioorg Med Chem Lett 13: 2843-6 (2003)
BindingDB Entry DOI: 10.7270/Q2PN952R |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50135601
((S,E)-N1-(3-(1H-indol-3-yl)-1-(methylamino)-1-oxop...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(\CC(=O)NO)=C\C(C)C Show InChI InChI=1S/C20H26N4O4/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/h4-8,11-12,17,22,28H,9-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/b13-8+/t17-/m0/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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR/CNRS 6013
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-2 |
Bioorg Med Chem Lett 13: 2843-6 (2003)
BindingDB Entry DOI: 10.7270/Q2PN952R |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50135602
(CHEMBL420259 | N*1*-{2-[2-(2-Dimethylamino-ethyl)-...)Show SMILES CNC(=O)C(Cc1c(CCN(C)C)[nH]c2ccccc12)NC(=O)C(\CC(=O)NO)=C\C(C)C Show InChI InChI=1S/C24H35N5O4/c1-15(2)12-16(13-22(30)28-33)23(31)27-21(24(32)25-3)14-18-17-8-6-7-9-19(17)26-20(18)10-11-29(4)5/h6-9,12,15,21,26,33H,10-11,13-14H2,1-5H3,(H,25,32)(H,27,31)(H,28,30)/b16-12+ | 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 | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR/CNRS 6013
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloproteinase-2 |
Bioorg Med Chem Lett 13: 2843-6 (2003)
BindingDB Entry DOI: 10.7270/Q2PN952R |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50135600
((S)-2-((E)-2-Hydroxycarbamoylmethyl-4-methyl-pent-...)Show SMILES CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(\CC(=O)NO)=C\C(C)C Show InChI InChI=1S/C21H27N3O5/c1-4-29-21(27)18(10-15-12-22-17-8-6-5-7-16(15)17)23-20(26)14(9-13(2)3)11-19(25)24-28/h5-9,12-13,18,22,28H,4,10-11H2,1-3H3,(H,23,26)(H,24,25)/b14-9+/t18-/m0/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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR/CNRS 6013
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloproteinase-2 |
Bioorg Med Chem Lett 13: 2843-6 (2003)
BindingDB Entry DOI: 10.7270/Q2PN952R |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50451552
(CHEMBL2111573)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC(=O)NO)=CC(C)C Show InChI InChI=1S/C20H26N4O4/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/h4-8,11-12,17,22,28H,9-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t17-/m0/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 |
UMR/CNRS 6013
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloproteinase-2 |
Bioorg Med Chem Lett 13: 2843-6 (2003)
BindingDB Entry DOI: 10.7270/Q2PN952R |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50135601
((S,E)-N1-(3-(1H-indol-3-yl)-1-(methylamino)-1-oxop...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(\CC(=O)NO)=C\C(C)C Show InChI InChI=1S/C20H26N4O4/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/h4-8,11-12,17,22,28H,9-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/b13-8+/t17-/m0/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 | 179 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR/CNRS 6013
Curated by ChEMBL
| Assay Description
Inhibition of PKD2 ( assessed as residual activity at 1 uM ) by TR-FRET assay |
Bioorg Med Chem Lett 13: 2843-6 (2003)
BindingDB Entry DOI: 10.7270/Q2PN952R |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50135602
(CHEMBL420259 | N*1*-{2-[2-(2-Dimethylamino-ethyl)-...)Show SMILES CNC(=O)C(Cc1c(CCN(C)C)[nH]c2ccccc12)NC(=O)C(\CC(=O)NO)=C\C(C)C Show InChI InChI=1S/C24H35N5O4/c1-15(2)12-16(13-22(30)28-33)23(31)27-21(24(32)25-3)14-18-17-8-6-7-9-19(17)26-20(18)10-11-29(4)5/h6-9,12,15,21,26,33H,10-11,13-14H2,1-5H3,(H,25,32)(H,27,31)(H,28,30)/b16-12+ | 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 | 665 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR/CNRS 6013
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloproteinase-3 |
Bioorg Med Chem Lett 13: 2843-6 (2003)
BindingDB Entry DOI: 10.7270/Q2PN952R |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50451552
(CHEMBL2111573)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC(=O)NO)=CC(C)C Show InChI InChI=1S/C20H26N4O4/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/h4-8,11-12,17,22,28H,9-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t17-/m0/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 | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR/CNRS 6013
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloproteinase-3 |
Bioorg Med Chem Lett 13: 2843-6 (2003)
BindingDB Entry DOI: 10.7270/Q2PN952R |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50135600
((S)-2-((E)-2-Hydroxycarbamoylmethyl-4-methyl-pent-...)Show SMILES CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(\CC(=O)NO)=C\C(C)C Show InChI InChI=1S/C21H27N3O5/c1-4-29-21(27)18(10-15-12-22-17-8-6-5-7-16(15)17)23-20(26)14(9-13(2)3)11-19(25)24-28/h5-9,12-13,18,22,28H,4,10-11H2,1-3H3,(H,23,26)(H,24,25)/b14-9+/t18-/m0/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 | 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR/CNRS 6013
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloproteinase-3 |
Bioorg Med Chem Lett 13: 2843-6 (2003)
BindingDB Entry DOI: 10.7270/Q2PN952R |
More data for this
Ligand-Target Pair | |
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