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BDBM50357629 CHEMBL1915858

SMILES: Cc1cc(OC[C@@H]2COc3ccccc23)cc(C)c1C(=O)Nc1cc(CC(O)=O)ccc1Cl

InChI Key: InChIKey=NBBSWWMRIVXHLD-GOSISDBHSA-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 = 50357629   
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 IP receptor


(Homo sapiens (Human))
BDBM50357629
PNG
(CHEMBL1915858)
Show SMILES Cc1cc(OC[C@@H]2COc3ccccc23)cc(C)c1C(=O)Nc1cc(CC(O)=O)ccc1Cl |r|
Show InChI InChI=1S/C26H24ClNO5/c1-15-9-19(32-13-18-14-33-23-6-4-3-5-20(18)23)10-16(2)25(15)26(31)28-22-11-17(12-24(29)30)7-8-21(22)27/h3-11,18H,12-14H2,1-2H3,(H,28,31)(H,29,30)/t18-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Mus musculus)
BDBM50357629
PNG
(CHEMBL1915858)
Show SMILES Cc1cc(OC[C@@H]2COc3ccccc23)cc(C)c1C(=O)Nc1cc(CC(O)=O)ccc1Cl |r|
Show InChI InChI=1S/C26H24ClNO5/c1-15-9-19(32-13-18-14-33-23-6-4-3-5-20(18)23)10-16(2)25(15)26(31)28-22-11-17(12-24(29)30)7-8-21(22)27/h3-11,18H,12-14H2,1-2H3,(H,28,31)(H,29,30)/t18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

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 after...


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair