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BDBM50341818 (1S,2R,3R)-1-(7-Chlorothieno[3',2':3,4]pyrazolo[1,5-a]pyridine-2-sulfonylamino)-2-methyl-3-phenylcyclopropanecarboxylic Acid::CHEMBL1766902

SMILES: C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2nn3cc(Cl)ccc3c2s1)C(O)=O

InChI Key: InChIKey=QVFLVOHFXMNIFB-JSZUHDFRSA-N

Data: 4 IC50

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 = 50341818   
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))
BDBM50341818
PNG
((1S,2R,3R)-1-(7-Chlorothieno[3',2':3,4]pyrazolo[1,...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2nn3cc(Cl)ccc3c2s1)C(O)=O |r|
Show InChI InChI=1S/C20H16ClN3O4S2/c1-11-17(12-5-3-2-4-6-12)20(11,19(25)26)23-30(27,28)16-9-14-18(29-16)15-8-7-13(21)10-24(15)22-14/h2-11,17,23H,1H3,(H,25,26)/t11-,17-,20+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50341818
PNG
((1S,2R,3R)-1-(7-Chlorothieno[3',2':3,4]pyrazolo[1,...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2nn3cc(Cl)ccc3c2s1)C(O)=O |r|
Show InChI InChI=1S/C20H16ClN3O4S2/c1-11-17(12-5-3-2-4-6-12)20(11,19(25)26)23-30(27,28)16-9-14-18(29-16)15-8-7-13(21)10-24(15)22-14/h2-11,17,23H,1H3,(H,25,26)/t11-,17-,20+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50341818
PNG
((1S,2R,3R)-1-(7-Chlorothieno[3',2':3,4]pyrazolo[1,...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2nn3cc(Cl)ccc3c2s1)C(O)=O |r|
Show InChI InChI=1S/C20H16ClN3O4S2/c1-11-17(12-5-3-2-4-6-12)20(11,19(25)26)23-30(27,28)16-9-14-18(29-16)15-8-7-13(21)10-24(15)22-14/h2-11,17,23H,1H3,(H,25,26)/t11-,17-,20+/m1/s1
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MMDB

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PC cid
PC sid
UniChem
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PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50341818
PNG
((1S,2R,3R)-1-(7-Chlorothieno[3',2':3,4]pyrazolo[1,...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2nn3cc(Cl)ccc3c2s1)C(O)=O |r|
Show InChI InChI=1S/C20H16ClN3O4S2/c1-11-17(12-5-3-2-4-6-12)20(11,19(25)26)23-30(27,28)16-9-14-18(29-16)15-8-7-13(21)10-24(15)22-14/h2-11,17,23H,1H3,(H,25,26)/t11-,17-,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair