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BDBM50350362 CHEMBL1813284

SMILES: Cc1c(CC(O)=O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2Cc3ccccc3O2)cc1C

InChI Key: InChIKey=JEORYEVIWMUWRC-NRFANRHFSA-N

Data: 2 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 3 hits for monomerid = 50350362   
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)
BDBM50350362
PNG
(CHEMBL1813284)
Show SMILES Cc1c(CC(O)=O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2Cc3ccccc3O2)cc1C |r|
Show InChI InChI=1S/C28H25NO5/c1-17-13-20(33-16-21-14-19-7-3-6-10-26(19)34-21)11-12-22(17)28(32)29-18(2)24(15-27(30)31)23-8-4-5-9-25(23)29/h3-13,21H,14-16H2,1-2H3,(H,30,31)/t21-/m0/s1
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Article
PubMed
7.10n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from mouse DP receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 19: 4574-88 (2011)


Article DOI: 10.1016/j.bmc.2011.06.014
BindingDB Entry DOI: 10.7270/Q2FB5398
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50350362
PNG
(CHEMBL1813284)
Show SMILES Cc1c(CC(O)=O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2Cc3ccccc3O2)cc1C |r|
Show InChI InChI=1S/C28H25NO5/c1-17-13-20(33-16-21-14-19-7-3-6-10-26(19)34-21)11-12-22(17)28(32)29-18(2)24(15-27(30)31)23-8-4-5-9-25(23)29/h3-13,21H,14-16H2,1-2H3,(H,30,31)/t21-/m0/s1
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Article
PubMed
280n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 19: 4574-88 (2011)


Article DOI: 10.1016/j.bmc.2011.06.014
BindingDB Entry DOI: 10.7270/Q2FB5398
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Mus musculus)
BDBM50350362
PNG
(CHEMBL1813284)
Show SMILES Cc1c(CC(O)=O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2Cc3ccccc3O2)cc1C |r|
Show InChI InChI=1S/C28H25NO5/c1-17-13-20(33-16-21-14-19-7-3-6-10-26(19)34-21)11-12-22(17)28(32)29-18(2)24(15-27(30)31)23-8-4-5-9-25(23)29/h3-13,21H,14-16H2,1-2H3,(H,30,31)/t21-/m0/s1
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Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse DP receptor expressed in CHO cells assessed as inhibition of PGD2-induced cAMP accumulation after 10 mins by enzyme immu...


Bioorg Med Chem 19: 4574-88 (2011)


Article DOI: 10.1016/j.bmc.2011.06.014
BindingDB Entry DOI: 10.7270/Q2FB5398
More data for this
Ligand-Target Pair