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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'G protein-coupled receptor 44' and Ligand = 'BDBM50449264'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449264
PNG
(CHEMBL3125334)
Show SMILES C[C@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1ccccc1 |r,c:3|
Show InChI InChI=1S/C29H26FN3O4/c1-29(20-7-3-2-4-8-20)18-25(32-37-29)19-11-16-23-24(17-19)31-26(9-5-6-10-27(34)35)33(28(23)36)22-14-12-21(30)13-15-22/h2-4,7-8,11-17H,5-6,9-10,18H2,1H3,(H,34,35)/t29-/m0/s1
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449264
PNG
(CHEMBL3125334)
Show SMILES C[C@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1ccccc1 |r,c:3|
Show InChI InChI=1S/C29H26FN3O4/c1-29(20-7-3-2-4-8-20)18-25(32-37-29)19-11-16-23-24(17-19)31-26(9-5-6-10-27(34)35)33(28(23)36)22-14-12-21(30)13-15-22/h2-4,7-8,11-17H,5-6,9-10,18H2,1H3,(H,34,35)/t29-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 10 min...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair