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BDBM50341813 (1S,2R,3R)-2,3-Dimethyl-1-(7-fluoro-1,2,3,4-tetrahydropyrido[3',4':3,4]pyrazolo[1,5-a]pyridine-2-sulfonylamino)-2-phenylcyclopropanecarboxylic Acid::CHEMBL1767015

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

InChI Key: InChIKey=LVVFVQDWLWATBO-KHIBUBOWSA-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 = 50341813   
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))
BDBM50341813
PNG
((1S,2R,3R)-2,3-Dimethyl-1-(7-fluoro-1,2,3,4-tetrah...)
Show SMILES C[C@@H]1[C@](C)(c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nn1cc(F)ccc21)C(O)=O
Show InChI InChI=1S/C22H23FN4O4S/c1-14-21(2,15-6-4-3-5-7-15)22(14,20(28)29)25-32(30,31)26-11-10-17-18(13-26)24-27-12-16(23)8-9-19(17)27/h3-9,12,14,25H,10-11,13H2,1-2H3,(H,28,29)/t14-,21-,22-/m1/s1
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Article
PubMed
n/an/a 10n/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))
BDBM50341813
PNG
((1S,2R,3R)-2,3-Dimethyl-1-(7-fluoro-1,2,3,4-tetrah...)
Show SMILES C[C@@H]1[C@](C)(c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nn1cc(F)ccc21)C(O)=O
Show InChI InChI=1S/C22H23FN4O4S/c1-14-21(2,15-6-4-3-5-7-15)22(14,20(28)29)25-32(30,31)26-11-10-17-18(13-26)24-27-12-16(23)8-9-19(17)27/h3-9,12,14,25H,10-11,13H2,1-2H3,(H,28,29)/t14-,21-,22-/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))
BDBM50341813
PNG
((1S,2R,3R)-2,3-Dimethyl-1-(7-fluoro-1,2,3,4-tetrah...)
Show SMILES C[C@@H]1[C@](C)(c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nn1cc(F)ccc21)C(O)=O
Show InChI InChI=1S/C22H23FN4O4S/c1-14-21(2,15-6-4-3-5-7-15)22(14,20(28)29)25-32(30,31)26-11-10-17-18(13-26)24-27-12-16(23)8-9-19(17)27/h3-9,12,14,25H,10-11,13H2,1-2H3,(H,28,29)/t14-,21-,22-/m1/s1
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UniChem

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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 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))
BDBM50341813
PNG
((1S,2R,3R)-2,3-Dimethyl-1-(7-fluoro-1,2,3,4-tetrah...)
Show SMILES C[C@@H]1[C@](C)(c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nn1cc(F)ccc21)C(O)=O
Show InChI InChI=1S/C22H23FN4O4S/c1-14-21(2,15-6-4-3-5-7-15)22(14,20(28)29)25-32(30,31)26-11-10-17-18(13-26)24-27-12-16(23)8-9-19(17)27/h3-9,12,14,25H,10-11,13H2,1-2H3,(H,28,29)/t14-,21-,22-/m1/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.10E+3n/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