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SMILES: Cc1nnc(CCc2ccccc2)n1Cc1cc(Cl)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12

InChI Key: InChIKey=YBKQORIHYVWHHC-UHFFFAOYSA-N

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

Found 2 hits for monomerid = 50035080   
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
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50035080
PNG
(CHEMBL3338288)
Show SMILES Cc1nnc(CCc2ccccc2)n1Cc1cc(Cl)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12
Show InChI InChI=1S/C28H26ClN5O2/c1-18-8-11-24-21(15-27(35)36)16-34(28(24)30-18)25-12-10-23(29)14-22(25)17-33-19(2)31-32-26(33)13-9-20-6-4-3-5-7-20/h3-8,10-12,14,16H,9,13,15,17H2,1-2H3,(H,35,36)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change after 10 mins by fluorescen...


Bioorg Med Chem Lett 24: 5127-33 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.028
BindingDB Entry DOI: 10.7270/Q27P911Z
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50035080
PNG
(CHEMBL3338288)
Show SMILES Cc1nnc(CCc2ccccc2)n1Cc1cc(Cl)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12
Show InChI InChI=1S/C28H26ClN5O2/c1-18-8-11-24-21(15-27(35)36)16-34(28(24)30-18)25-12-10-23(29)14-22(25)17-33-19(2)31-32-26(33)13-9-20-6-4-3-5-7-20/h3-8,10-12,14,16H,9,13,15,17H2,1-2H3,(H,35,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 1 hr by radio-labelled [35S]-GTPgamma...


Bioorg Med Chem Lett 24: 5127-33 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.028
BindingDB Entry DOI: 10.7270/Q27P911Z
More data for this
Ligand-Target Pair