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BDBM50351498 CHEMBL1819625

SMILES: COc1ccc(NC(=O)c2ccc(OC[C@@H]3CN(C)c4ccccc4O3)cc2Cl)cc1CC(O)=O

InChI Key: InChIKey=HMYLRZCRBNWSRN-IBGZPJMESA-N

Data: 1 KI  1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50351498   
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)
BDBM50351498
PNG
(CHEMBL1819625)
Show SMILES COc1ccc(NC(=O)c2ccc(OC[C@@H]3CN(C)c4ccccc4O3)cc2Cl)cc1CC(O)=O |r|
Show InChI InChI=1S/C26H25ClN2O6/c1-29-14-19(35-24-6-4-3-5-22(24)29)15-34-18-8-9-20(21(27)13-18)26(32)28-17-7-10-23(33-2)16(11-17)12-25(30)31/h3-11,13,19H,12,14-15H2,1-2H3,(H,28,32)(H,30,31)/t19-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
36n/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)
BDBM50351498
PNG
(CHEMBL1819625)
Show SMILES COc1ccc(NC(=O)c2ccc(OC[C@@H]3CN(C)c4ccccc4O3)cc2Cl)cc1CC(O)=O |r|
Show InChI InChI=1S/C26H25ClN2O6/c1-29-14-19(35-24-6-4-3-5-22(24)29)15-34-18-8-9-20(21(27)13-18)26(32)28-17-7-10-23(33-2)16(11-17)12-25(30)31/h3-11,13,19H,12,14-15H2,1-2H3,(H,28,32)(H,30,31)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 41n/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