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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50320441   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Collagenase 3


(Homo sapiens (Human))
BDBM50320441
PNG
(CHEMBL1082645 | N-hydroxy-4-(4-(4-(4-(pyrazin-2-yl...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1cnccn1
Show InChI InChI=1S/C26H34N6O6S/c33-24(32-15-13-31(14-16-32)23-19-27-9-10-28-23)20-5-11-30(12-6-20)21-1-3-22(4-2-21)39(36,37)26(25(34)29-35)7-17-38-18-8-26/h1-4,9-10,19-20,35H,5-8,11-18H2,(H,29,34)
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PC cid
PC sid
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Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320441
PNG
(CHEMBL1082645 | N-hydroxy-4-(4-(4-(4-(pyrazin-2-yl...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1cnccn1
Show InChI InChI=1S/C26H34N6O6S/c33-24(32-15-13-31(14-16-32)23-19-27-9-10-28-23)20-5-11-30(12-6-20)21-1-3-22(4-2-21)39(36,37)26(25(34)29-35)7-17-38-18-8-26/h1-4,9-10,19-20,35H,5-8,11-18H2,(H,29,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair