BDBM50006830 CHEMBL3236948

SMILES CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O

InChI Key InChIKey=IJTCACUKYBFEGJ-UHFFFAOYSA-N

Data  14 IC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50006830   

TargetThromboxane A2 receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50006830(CHEMBL3236948)
Show SMILES CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O
Show InChI InChI=1S/C23H21FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h4-11,13H,12H2,1-3H3,(H,27,28)
Affinity DataIC50: 1.00E+3nMAssay Description:Antagonist activity at TXA2 receptor (unknown origin) by FRET assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50006830(CHEMBL3236948)
Show SMILES CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O
Show InChI InChI=1S/C23H21FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h4-11,13H,12H2,1-3H3,(H,27,28)
Affinity DataIC50: 1.60E+4nMAssay Description:Binding affinity to DP1 receptor (unknown origin) by FRET assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Mus musculus (mouse))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50006830(CHEMBL3236948)
Show SMILES CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O
Show InChI InChI=1S/C23H21FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h4-11,13H,12H2,1-3H3,(H,27,28)
Affinity DataIC50: 4nMAssay Description:Inhibition of mouse CRTH2 receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50006830(CHEMBL3236948)
Show SMILES CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O
Show InChI InChI=1S/C23H21FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h4-11,13H,12H2,1-3H3,(H,27,28)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of CRTH2 receptor-mediated chemotaxis in human basophilsMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50006830(CHEMBL3236948)
Show SMILES CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O
Show InChI InChI=1S/C23H21FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h4-11,13H,12H2,1-3H3,(H,27,28)
Affinity DataIC50: 1.40nMAssay Description:Binding affinity to human CRTH2 receptorMore data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50006830(CHEMBL3236948)
Show SMILES CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O
Show InChI InChI=1S/C23H21FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h4-11,13H,12H2,1-3H3,(H,27,28)
Affinity DataIC50: 5.50E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50006830(CHEMBL3236948)
Show SMILES CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O
Show InChI InChI=1S/C23H21FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h4-11,13H,12H2,1-3H3,(H,27,28)
Affinity DataIC50: 6nMAssay Description:Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assayMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50006830(CHEMBL3236948)
Show SMILES CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O
Show InChI InChI=1S/C23H21FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h4-11,13H,12H2,1-3H3,(H,27,28)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50006830(CHEMBL3236948)
Show SMILES CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O
Show InChI InChI=1S/C23H21FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h4-11,13H,12H2,1-3H3,(H,27,28)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 2B6(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50006830(CHEMBL3236948)
Show SMILES CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O
Show InChI InChI=1S/C23H21FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h4-11,13H,12H2,1-3H3,(H,27,28)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2B6 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 2A6(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50006830(CHEMBL3236948)
Show SMILES CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O
Show InChI InChI=1S/C23H21FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h4-11,13H,12H2,1-3H3,(H,27,28)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50006830(CHEMBL3236948)
Show SMILES CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O
Show InChI InChI=1S/C23H21FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h4-11,13H,12H2,1-3H3,(H,27,28)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50006830(CHEMBL3236948)
Show SMILES CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O
Show InChI InChI=1S/C23H21FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h4-11,13H,12H2,1-3H3,(H,27,28)
Affinity DataIC50: 8nMT: 2°CAssay Description:Antagonist activity at CRTh2 in human peripheral blood assessed as inhibition of PGD2-induced eosinophil shape change at room temperature by flow cyt...More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50006830(CHEMBL3236948)
Show SMILES CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O
Show InChI InChI=1S/C23H21FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h4-11,13H,12H2,1-3H3,(H,27,28)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair