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BDBM50341809 (1S,2R,3R)-1-(7-Fluoro-1,2,3,4-tetrahydropyrido[3'4':3,4]pyrazolo[1,5-a]pyridine-2-sulfonylamino)-2-methyl-3-phenylcyclopropanecarboxylicAcid::CHEMBL1767011

SMILES: C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nn1cc(F)ccc21)C(O)=O

InChI Key: InChIKey=KIMAXDZENSBFAC-DYHNYNMBSA-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 = 50341809   
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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50341809
PNG
((1S,2R,3R)-1-(7-Fluoro-1,2,3,4-tetrahydropyrido[3'...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nn1cc(F)ccc21)C(O)=O
Show InChI InChI=1S/C21H21FN4O4S/c1-13-19(14-5-3-2-4-6-14)21(13,20(27)28)24-31(29,30)25-10-9-16-17(12-25)23-26-11-15(22)7-8-18(16)26/h2-8,11,13,19,24H,9-10,12H2,1H3,(H,27,28)/t13-,19-,21+/m1/s1
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Article
PubMed
n/an/a 8.60n/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
ADAM17


(Homo sapiens (Human))
BDBM50341809
PNG
((1S,2R,3R)-1-(7-Fluoro-1,2,3,4-tetrahydropyrido[3'...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nn1cc(F)ccc21)C(O)=O
Show InChI InChI=1S/C21H21FN4O4S/c1-13-19(14-5-3-2-4-6-14)21(13,20(27)28)24-31(29,30)25-10-9-16-17(12-25)23-26-11-15(22)7-8-18(16)26/h2-8,11,13,19,24H,9-10,12H2,1H3,(H,27,28)/t13-,19-,21+/m1/s1
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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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50341809
PNG
((1S,2R,3R)-1-(7-Fluoro-1,2,3,4-tetrahydropyrido[3'...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nn1cc(F)ccc21)C(O)=O
Show InChI InChI=1S/C21H21FN4O4S/c1-13-19(14-5-3-2-4-6-14)21(13,20(27)28)24-31(29,30)25-10-9-16-17(12-25)23-26-11-15(22)7-8-18(16)26/h2-8,11,13,19,24H,9-10,12H2,1H3,(H,27,28)/t13-,19-,21+/m1/s1
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Article
PubMed
n/an/a 4.20E+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
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50341809
PNG
((1S,2R,3R)-1-(7-Fluoro-1,2,3,4-tetrahydropyrido[3'...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nn1cc(F)ccc21)C(O)=O
Show InChI InChI=1S/C21H21FN4O4S/c1-13-19(14-5-3-2-4-6-14)21(13,20(27)28)24-31(29,30)25-10-9-16-17(12-25)23-26-11-15(22)7-8-18(16)26/h2-8,11,13,19,24H,9-10,12H2,1H3,(H,27,28)/t13-,19-,21+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/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