Found 5 hits for monomerid = 50419623 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/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)) | BDBM50419623
(CHEMBL1940312)Show SMILES CNC(=O)N1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:26.28,wD:26.27,(19.34,-6.08,;20.67,-6.86,;22.02,-6.1,;22.03,-4.56,;23.35,-6.88,;24.69,-6.12,;26.02,-6.9,;26,-8.44,;24.67,-9.21,;23.34,-8.43,;27.34,-9.22,;28.68,-8.45,;28.68,-6.91,;30.01,-9.23,;31.35,-8.46,;32.68,-9.24,;32.67,-10.78,;34,-11.55,;35.34,-10.79,;35.35,-9.25,;36.69,-8.49,;38.01,-9.27,;38.01,-10.81,;36.68,-11.57,;39.35,-8.51,;40.69,-7.75,;42,-6.97,;41.99,-8.49,;41.98,-5.44,;43.29,-4.66,;45.41,-5.09,;45.45,-7.26,;43.32,-7.71,;44.62,-6.93,;44.6,-5.42,;31.34,-11.55,;30.01,-10.78,)| Show InChI InChI=1S/C29H34N4O4/c1-30-28(35)33-18-13-24(14-19-33)31-27(34)22-4-8-26(9-5-22)37-25-6-2-21(3-7-25)10-15-29(36)20-32-16-11-23(29)12-17-32/h2-9,23-24,36H,11-14,16-20H2,1H3,(H,30,35)(H,31,34)/t29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis |
Bioorg Med Chem Lett 22: 271-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.034
BindingDB Entry DOI: 10.7270/Q20R9PTN |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50419623
(CHEMBL1940312)Show SMILES CNC(=O)N1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:26.28,wD:26.27,(19.34,-6.08,;20.67,-6.86,;22.02,-6.1,;22.03,-4.56,;23.35,-6.88,;24.69,-6.12,;26.02,-6.9,;26,-8.44,;24.67,-9.21,;23.34,-8.43,;27.34,-9.22,;28.68,-8.45,;28.68,-6.91,;30.01,-9.23,;31.35,-8.46,;32.68,-9.24,;32.67,-10.78,;34,-11.55,;35.34,-10.79,;35.35,-9.25,;36.69,-8.49,;38.01,-9.27,;38.01,-10.81,;36.68,-11.57,;39.35,-8.51,;40.69,-7.75,;42,-6.97,;41.99,-8.49,;41.98,-5.44,;43.29,-4.66,;45.41,-5.09,;45.45,-7.26,;43.32,-7.71,;44.62,-6.93,;44.6,-5.42,;31.34,-11.55,;30.01,-10.78,)| Show InChI InChI=1S/C29H34N4O4/c1-30-28(35)33-18-13-24(14-19-33)31-27(34)22-4-8-26(9-5-22)37-25-6-2-21(3-7-25)10-15-29(36)20-32-16-11-23(29)12-17-32/h2-9,23-24,36H,11-14,16-20H2,1H3,(H,30,35)(H,31,34)/t29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis |
Bioorg Med Chem Lett 22: 271-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.034
BindingDB Entry DOI: 10.7270/Q20R9PTN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-12 (MMP12)
(Homo sapiens (Human)) | BDBM50419623
(CHEMBL1940312)Show SMILES CNC(=O)N1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:26.28,wD:26.27,(19.34,-6.08,;20.67,-6.86,;22.02,-6.1,;22.03,-4.56,;23.35,-6.88,;24.69,-6.12,;26.02,-6.9,;26,-8.44,;24.67,-9.21,;23.34,-8.43,;27.34,-9.22,;28.68,-8.45,;28.68,-6.91,;30.01,-9.23,;31.35,-8.46,;32.68,-9.24,;32.67,-10.78,;34,-11.55,;35.34,-10.79,;35.35,-9.25,;36.69,-8.49,;38.01,-9.27,;38.01,-10.81,;36.68,-11.57,;39.35,-8.51,;40.69,-7.75,;42,-6.97,;41.99,-8.49,;41.98,-5.44,;43.29,-4.66,;45.41,-5.09,;45.45,-7.26,;43.32,-7.71,;44.62,-6.93,;44.6,-5.42,;31.34,-11.55,;30.01,-10.78,)| Show InChI InChI=1S/C29H34N4O4/c1-30-28(35)33-18-13-24(14-19-33)31-27(34)22-4-8-26(9-5-22)37-25-6-2-21(3-7-25)10-15-29(36)20-32-16-11-23(29)12-17-32/h2-9,23-24,36H,11-14,16-20H2,1H3,(H,30,35)(H,31,34)/t29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of MMP12 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis |
Bioorg Med Chem Lett 22: 271-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.034
BindingDB Entry DOI: 10.7270/Q20R9PTN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14 (MMP14)
(Homo sapiens (Human)) | BDBM50419623
(CHEMBL1940312)Show SMILES CNC(=O)N1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:26.28,wD:26.27,(19.34,-6.08,;20.67,-6.86,;22.02,-6.1,;22.03,-4.56,;23.35,-6.88,;24.69,-6.12,;26.02,-6.9,;26,-8.44,;24.67,-9.21,;23.34,-8.43,;27.34,-9.22,;28.68,-8.45,;28.68,-6.91,;30.01,-9.23,;31.35,-8.46,;32.68,-9.24,;32.67,-10.78,;34,-11.55,;35.34,-10.79,;35.35,-9.25,;36.69,-8.49,;38.01,-9.27,;38.01,-10.81,;36.68,-11.57,;39.35,-8.51,;40.69,-7.75,;42,-6.97,;41.99,-8.49,;41.98,-5.44,;43.29,-4.66,;45.41,-5.09,;45.45,-7.26,;43.32,-7.71,;44.62,-6.93,;44.6,-5.42,;31.34,-11.55,;30.01,-10.78,)| Show InChI InChI=1S/C29H34N4O4/c1-30-28(35)33-18-13-24(14-19-33)31-27(34)22-4-8-26(9-5-22)37-25-6-2-21(3-7-25)10-15-29(36)20-32-16-11-23(29)12-17-32/h2-9,23-24,36H,11-14,16-20H2,1H3,(H,30,35)(H,31,34)/t29-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of MMP14 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis |
Bioorg Med Chem Lett 22: 271-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.034
BindingDB Entry DOI: 10.7270/Q20R9PTN |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50419623
(CHEMBL1940312)Show SMILES CNC(=O)N1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:26.28,wD:26.27,(19.34,-6.08,;20.67,-6.86,;22.02,-6.1,;22.03,-4.56,;23.35,-6.88,;24.69,-6.12,;26.02,-6.9,;26,-8.44,;24.67,-9.21,;23.34,-8.43,;27.34,-9.22,;28.68,-8.45,;28.68,-6.91,;30.01,-9.23,;31.35,-8.46,;32.68,-9.24,;32.67,-10.78,;34,-11.55,;35.34,-10.79,;35.35,-9.25,;36.69,-8.49,;38.01,-9.27,;38.01,-10.81,;36.68,-11.57,;39.35,-8.51,;40.69,-7.75,;42,-6.97,;41.99,-8.49,;41.98,-5.44,;43.29,-4.66,;45.41,-5.09,;45.45,-7.26,;43.32,-7.71,;44.62,-6.93,;44.6,-5.42,;31.34,-11.55,;30.01,-10.78,)| Show InChI InChI=1S/C29H34N4O4/c1-30-28(35)33-18-13-24(14-19-33)31-27(34)22-4-8-26(9-5-22)37-25-6-2-21(3-7-25)10-15-29(36)20-32-16-11-23(29)12-17-32/h2-9,23-24,36H,11-14,16-20H2,1H3,(H,30,35)(H,31,34)/t29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of MMP9 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis |
Bioorg Med Chem Lett 22: 271-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.034
BindingDB Entry DOI: 10.7270/Q20R9PTN |
More data for this
Ligand-Target Pair | |
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