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BDBM50388910 CHEMBL2063271

SMILES: Fc1cccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)c1

InChI Key: InChIKey=LEBLJISYPUWAJY-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50388910   
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
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50388910
PNG
(CHEMBL2063271)
Show SMILES Fc1cccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)c1
Show InChI InChI=1S/C15H13FO3S2/c16-11-2-1-3-13(8-11)19-12-4-6-15(7-5-12)21(17,18)10-14-9-20-14/h1-8,14H,9-10H2
PDB

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antibodypedia
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PC cid
PC sid
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Similars

Article
PubMed
190n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP14 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50388910
PNG
(CHEMBL2063271)
Show SMILES Fc1cccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)c1
Show InChI InChI=1S/C15H13FO3S2/c16-11-2-1-3-13(8-11)19-12-4-6-15(7-5-12)21(17,18)10-14-9-20-14/h1-8,14H,9-10H2
PDB
MMDB

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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
450n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP2 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50388910
PNG
(CHEMBL2063271)
Show SMILES Fc1cccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)c1
Show InChI InChI=1S/C15H13FO3S2/c16-11-2-1-3-13(8-11)19-12-4-6-15(7-5-12)21(17,18)10-14-9-20-14/h1-8,14H,9-10H2
PDB
MMDB

Reactome pathway
KEGG

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DrugBank
antibodypedia
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PC sid
UniChem

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Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP9 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50388910
PNG
(CHEMBL2063271)
Show SMILES Fc1cccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)c1
Show InChI InChI=1S/C15H13FO3S2/c16-11-2-1-3-13(8-11)19-12-4-6-15(7-5-12)21(17,18)10-14-9-20-14/h1-8,14H,9-10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP3 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
More data for this
Ligand-Target Pair