BindingDB logo
myBDB logout

BDBM50351492 CHEMBL1819617

SMILES: CN1C[C@@H](COc2ccc(C(=O)Nc3ccc(F)c(CC(O)=O)c3)c(C)c2)Oc2ccccc12

InChI Key: InChIKey=HQZSKUFYKQHNFM-FQEVSTJZSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50351492   
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
Prostanoid DP receptor


(Mus musculus)
BDBM50351492
PNG
(CHEMBL1819617)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3ccc(F)c(CC(O)=O)c3)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C26H25FN2O5/c1-16-11-19(33-15-20-14-29(2)23-5-3-4-6-24(23)34-20)8-9-21(16)26(32)28-18-7-10-22(27)17(12-18)13-25(30)31/h3-12,20H,13-15H2,1-2H3,(H,28,32)(H,30,31)/t20-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from mouse prostanoid DP receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 19: 5361-71 (2011)


Article DOI: 10.1016/j.bmc.2011.08.007
BindingDB Entry DOI: 10.7270/Q2X067DJ
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Mus musculus)
BDBM50351492
PNG
(CHEMBL1819617)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3ccc(F)c(CC(O)=O)c3)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C26H25FN2O5/c1-16-11-19(33-15-20-14-29(2)23-5-3-4-6-24(23)34-20)8-9-21(16)26(32)28-18-7-10-22(27)17(12-18)13-25(30)31/h3-12,20H,13-15H2,1-2H3,(H,28,32)(H,30,31)/t20-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse prostanoid DP receptor expressed in CHO cells assessed as inhibition of PGD2-induced intracellular cAMP production


Bioorg Med Chem 19: 5361-71 (2011)


Article DOI: 10.1016/j.bmc.2011.08.007
BindingDB Entry DOI: 10.7270/Q2X067DJ
More data for this
Ligand-Target Pair