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BDBM50363924 CHEMBL1951571

SMILES: OC(=O)Cc1cc(F)c(Oc2ccc(cc2NS(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)C(=O)NC2CCC2)cc1F

InChI Key: InChIKey=UCKWRRLSRUPSII-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50363924   
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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363924
PNG
(CHEMBL1951571)
Show SMILES OC(=O)Cc1cc(F)c(Oc2ccc(cc2NS(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)C(=O)NC2CCC2)cc1F
Show InChI InChI=1S/C26H20ClF5N2O6S/c27-17-11-15(26(30,31)32)5-7-23(17)41(38,39)34-20-9-13(25(37)33-16-2-1-3-16)4-6-21(20)40-22-12-18(28)14(8-19(22)29)10-24(35)36/h4-9,11-12,16,34H,1-3,10H2,(H,33,37)(H,35,36)
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PC sid
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Article
PubMed
n/an/a 41n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 50% human plasma


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50363924
PNG
(CHEMBL1951571)
Show SMILES OC(=O)Cc1cc(F)c(Oc2ccc(cc2NS(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)C(=O)NC2CCC2)cc1F
Show InChI InChI=1S/C26H20ClF5N2O6S/c27-17-11-15(26(30,31)32)5-7-23(17)41(38,39)34-20-9-13(25(37)33-16-2-1-3-16)4-6-21(20)40-22-12-18(28)14(8-19(22)29)10-24(35)36/h4-9,11-12,16,34H,1-3,10H2,(H,33,37)(H,35,36)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50363924
PNG
(CHEMBL1951571)
Show SMILES OC(=O)Cc1cc(F)c(Oc2ccc(cc2NS(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)C(=O)NC2CCC2)cc1F
Show InChI InChI=1S/C26H20ClF5N2O6S/c27-17-11-15(26(30,31)32)5-7-23(17)41(38,39)34-20-9-13(25(37)33-16-2-1-3-16)4-6-21(20)40-22-12-18(28)14(8-19(22)29)10-24(35)36/h4-9,11-12,16,34H,1-3,10H2,(H,33,37)(H,35,36)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363924
PNG
(CHEMBL1951571)
Show SMILES OC(=O)Cc1cc(F)c(Oc2ccc(cc2NS(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)C(=O)NC2CCC2)cc1F
Show InChI InChI=1S/C26H20ClF5N2O6S/c27-17-11-15(26(30,31)32)5-7-23(17)41(38,39)34-20-9-13(25(37)33-16-2-1-3-16)4-6-21(20)40-22-12-18(28)14(8-19(22)29)10-24(35)36/h4-9,11-12,16,34H,1-3,10H2,(H,33,37)(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 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair