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BDBM50209512 (S)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-quinolin-4-ylamino]-propionic acid::CHEMBL397600

SMILES: CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(N[C@@H](C)C(O)=O)c1C#N

InChI Key: InChIKey=SXFYSRMCZRZBKE-INIZCTEOSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50209512   
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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50209512
PNG
((S)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluor...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(N[C@@H](C)C(O)=O)c1C#N
Show InChI InChI=1S/C27H22FN3O3/c1-3-34-24-7-5-4-6-20(24)17-8-10-18(11-9-17)25-22(15-29)26(30-16(2)27(32)33)21-14-19(28)12-13-23(21)31-25/h4-14,16H,3H2,1-2H3,(H,30,31)(H,32,33)/t16-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209512
PNG
((S)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluor...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(N[C@@H](C)C(O)=O)c1C#N
Show InChI InChI=1S/C27H22FN3O3/c1-3-34-24-7-5-4-6-20(24)17-8-10-18(11-9-17)25-22(15-29)26(30-16(2)27(32)33)21-14-19(28)12-13-23(21)31-25/h4-14,16H,3H2,1-2H3,(H,30,31)(H,32,33)/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair