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BDBM50357632 CHEMBL1915867

SMILES: Cc1ccc2OC[C@@H](COc3cc(C)c(C(=O)Nc4cc(CC(O)=O)ccc4Cl)c(C)c3)c2c1

InChI Key: InChIKey=NXTVJLPVVYHNJC-LJQANCHMSA-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 = 50357632   
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))
BDBM50357632
PNG
(CHEMBL1915867)
Show SMILES Cc1ccc2OC[C@@H](COc3cc(C)c(C(=O)Nc4cc(CC(O)=O)ccc4Cl)c(C)c3)c2c1 |r|
Show InChI InChI=1S/C27H26ClNO5/c1-15-4-7-24-21(8-15)19(14-34-24)13-33-20-9-16(2)26(17(3)10-20)27(32)29-23-11-18(12-25(30)31)5-6-22(23)28/h4-11,19H,12-14H2,1-3H3,(H,29,32)(H,30,31)/t19-/m1/s1
NCI pathway
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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)
BDBM50357632
PNG
(CHEMBL1915867)
Show SMILES Cc1ccc2OC[C@@H](COc3cc(C)c(C(=O)Nc4cc(CC(O)=O)ccc4Cl)c(C)c3)c2c1 |r|
Show InChI InChI=1S/C27H26ClNO5/c1-15-4-7-24-21(8-15)19(14-34-24)13-33-20-9-16(2)26(17(3)10-20)27(32)29-23-11-18(12-25(30)31)5-6-22(23)28/h4-11,19H,12-14H2,1-3H3,(H,29,32)(H,30,31)/t19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/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