BDBM50344080 CHEMBL1777855::rac-3-(4-(2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy)-2-fluorophenyl)hex-4-ynoic acid

SMILES CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1F

InChI Key InChIKey=KAYILIDZNSBIOB-UHFFFAOYSA-N

Data  6 IC50  4 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50344080   

TargetFree fatty acid receptor 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344080(CHEMBL1777855 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
Show SMILES CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1F
Show InChI InChI=1S/C20H14F6O4/c1-2-3-11(8-18(27)28)14-6-5-13(10-15(14)21)29-16-7-4-12(20(24,25)26)9-17(16)30-19(22)23/h4-7,9-11,19H,8H2,1H3,(H,27,28)
Affinity DataIC50: 49nMAssay Description:Inhibition of human GPR40 expressed in CHO cells by SPA based binding assayMore data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344080(CHEMBL1777855 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
Show SMILES CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1F
Show InChI InChI=1S/C20H14F6O4/c1-2-3-11(8-18(27)28)14-6-5-13(10-15(14)21)29-16-7-4-12(20(24,25)26)9-17(16)30-19(22)23/h4-7,9-11,19H,8H2,1H3,(H,27,28)
Affinity DataEC50:  349nMAssay Description:Agonist activity at human GPR40 expressed in HEK293 cells assessed as [3H]IP3 production in presence of 0.4% serum albuminMore data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344080(CHEMBL1777855 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
Show SMILES CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1F
Show InChI InChI=1S/C20H14F6O4/c1-2-3-11(8-18(27)28)14-6-5-13(10-15(14)21)29-16-7-4-12(20(24,25)26)9-17(16)30-19(22)23/h4-7,9-11,19H,8H2,1H3,(H,27,28)
Affinity DataEC50:  113nMAssay Description:Agonist activity at human GPR40 expressed in CHO cells assessed as intracellular calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344080(CHEMBL1777855 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
Show SMILES CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1F
Show InChI InChI=1S/C20H14F6O4/c1-2-3-11(8-18(27)28)14-6-5-13(10-15(14)21)29-16-7-4-12(20(24,25)26)9-17(16)30-19(22)23/h4-7,9-11,19H,8H2,1H3,(H,27,28)
Affinity DataIC50: 2.56E+4nMAssay Description:Inhibition of Cav1.2 calcium channelMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344080(CHEMBL1777855 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
Show SMILES CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1F
Show InChI InChI=1S/C20H14F6O4/c1-2-3-11(8-18(27)28)14-6-5-13(10-15(14)21)29-16-7-4-12(20(24,25)26)9-17(16)30-19(22)23/h4-7,9-11,19H,8H2,1H3,(H,27,28)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344080(CHEMBL1777855 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
Show SMILES CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1F
Show InChI InChI=1S/C20H14F6O4/c1-2-3-11(8-18(27)28)14-6-5-13(10-15(14)21)29-16-7-4-12(20(24,25)26)9-17(16)30-19(22)23/h4-7,9-11,19H,8H2,1H3,(H,27,28)
Affinity DataEC50:  306nMAssay Description:Agonist activity at human GPR40 expressed in HEK293 cells assessed as [3H]IP3 production in presence of 10% human serumMore data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344080(CHEMBL1777855 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
Show SMILES CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1F
Show InChI InChI=1S/C20H14F6O4/c1-2-3-11(8-18(27)28)14-6-5-13(10-15(14)21)29-16-7-4-12(20(24,25)26)9-17(16)30-19(22)23/h4-7,9-11,19H,8H2,1H3,(H,27,28)
Affinity DataIC50: 2.80E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344080(CHEMBL1777855 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
Show SMILES CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1F
Show InChI InChI=1S/C20H14F6O4/c1-2-3-11(8-18(27)28)14-6-5-13(10-15(14)21)29-16-7-4-12(20(24,25)26)9-17(16)30-19(22)23/h4-7,9-11,19H,8H2,1H3,(H,27,28)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344080(CHEMBL1777855 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
Show SMILES CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1F
Show InChI InChI=1S/C20H14F6O4/c1-2-3-11(8-18(27)28)14-6-5-13(10-15(14)21)29-16-7-4-12(20(24,25)26)9-17(16)30-19(22)23/h4-7,9-11,19H,8H2,1H3,(H,27,28)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Mus musculus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344080(CHEMBL1777855 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
Show SMILES CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1F
Show InChI InChI=1S/C20H14F6O4/c1-2-3-11(8-18(27)28)14-6-5-13(10-15(14)21)29-16-7-4-12(20(24,25)26)9-17(16)30-19(22)23/h4-7,9-11,19H,8H2,1H3,(H,27,28)
Affinity DataEC50:  104nMAssay Description:Agonist activity at mouse GPR40 expressed in CHO cells assessed as intracellular calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair