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2 similar compounds to monomer 50265079

Compile data set for download or QSAR
Wt: 408.4
BDBM50372654
Wt: 394.4
BDBM50372657

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50372654,50372657   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Collagenase


(Homo sapiens (human))
BDBM50372654
PNG
(CHEMBL272866)
Show SMILES COC(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1
Show InChI InChI=1S/C26H20N2O3/c1-31-26(30)22-13-10-21(11-14-22)17-28-18-27-24-15-12-20(16-23(24)25(28)29)9-5-8-19-6-3-2-4-7-19/h2-4,6-7,10-16,18H,8,17H2,1H3
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 63.2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 catalytic domain


J Med Chem 51: 835-41 (2008)


Article DOI: 10.1021/jm701274v
BindingDB Entry DOI: 10.7270/Q2J38TDZ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50372657
PNG
(CHEMBL273054)
Show SMILES OC(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1
Show InChI InChI=1S/C25H18N2O3/c28-24-22-15-19(8-4-7-18-5-2-1-3-6-18)11-14-23(22)26-17-27(24)16-20-9-12-21(13-10-20)25(29)30/h1-3,5-6,9-15,17H,7,16H2,(H,29,30)
PDB
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UniChem

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Article
PubMed
n/an/a 9.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


J Med Chem 51: 835-41 (2008)


Article DOI: 10.1021/jm701274v
BindingDB Entry DOI: 10.7270/Q2J38TDZ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50372654
PNG
(CHEMBL272866)
Show SMILES COC(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1
Show InChI InChI=1S/C26H20N2O3/c1-31-26(30)22-13-10-21(11-14-22)17-28-18-27-24-15-12-20(16-23(24)25(28)29)9-5-8-19-6-3-2-4-7-19/h2-4,6-7,10-16,18H,8,17H2,1H3
PDB
MMDB

NCI pathway
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 244n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


J Med Chem 51: 835-41 (2008)


Article DOI: 10.1021/jm701274v
BindingDB Entry DOI: 10.7270/Q2J38TDZ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50372657
PNG
(CHEMBL273054)
Show SMILES OC(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1
Show InChI InChI=1S/C25H18N2O3/c28-24-22-15-19(8-4-7-18-5-2-1-3-6-18)11-14-23(22)26-17-27(24)16-20-9-12-21(13-10-20)25(29)30/h1-3,5-6,9-15,17H,7,16H2,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.54n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 catalytic domain


J Med Chem 51: 835-41 (2008)


Article DOI: 10.1021/jm701274v
BindingDB Entry DOI: 10.7270/Q2J38TDZ
More data for this
Ligand-Target Pair