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BDBM50319247 4-(2,3-difluorophenyl)-2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl)-2-methylpropanamido)cyclohex-1-enecarboxylicacid::CHEMBL1086541

SMILES: CC(Cc1ccn(n1)-c1ccc(O)cn1)C(=O)NC1=C(CCC(C1)c1cccc(F)c1F)C(O)=O

InChI Key: InChIKey=FYPOBEMFXYEHOZ-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50319247   
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
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319247
PNG
(4-(2,3-difluorophenyl)-2-(3-(1-(5-hydroxypyridin-2...)
Show SMILES CC(Cc1ccn(n1)-c1ccc(O)cn1)C(=O)NC1=C(CCC(C1)c1cccc(F)c1F)C(O)=O |t:20|
Show InChI InChI=1S/C25H24F2N4O4/c1-14(11-16-9-10-31(30-16)22-8-6-17(32)13-28-22)24(33)29-21-12-15(5-7-19(21)25(34)35)18-3-2-4-20(26)23(18)27/h2-4,6,8-10,13-15,32H,5,7,11-12H2,1H3,(H,29,33)(H,34,35)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from GRP109A receptor


Bioorg Med Chem Lett 20: 3372-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.013
BindingDB Entry DOI: 10.7270/Q2C24WM2
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319247
PNG
(4-(2,3-difluorophenyl)-2-(3-(1-(5-hydroxypyridin-2...)
Show SMILES CC(Cc1ccn(n1)-c1ccc(O)cn1)C(=O)NC1=C(CCC(C1)c1cccc(F)c1F)C(O)=O |t:20|
Show InChI InChI=1S/C25H24F2N4O4/c1-14(11-16-9-10-31(30-16)22-8-6-17(32)13-28-22)24(33)29-21-12-15(5-7-19(21)25(34)35)18-3-2-4-20(26)23(18)27/h2-4,6,8-10,13-15,32H,5,7,11-12H2,1H3,(H,29,33)(H,34,35)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 67n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from GRP109A receptor in presence of 4% human serum


Bioorg Med Chem Lett 20: 3372-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.013
BindingDB Entry DOI: 10.7270/Q2C24WM2
More data for this
Ligand-Target Pair