BDBM50344068 CHEMBL1777861::rac-3-(4-(2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy)phenyl)hex-4-ynoic acid

SMILES CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1

InChI Key InChIKey=XTXMTBWPTJUGRV-UHFFFAOYSA-N

Data  6 IC50  4 EC50

Find this compound or compounds like it in BindingDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50344068   

TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344068(CHEMBL1777861 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
Show SMILES CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C20H15F5O4/c1-2-3-13(10-18(26)27)12-4-7-15(8-5-12)28-16-9-6-14(20(23,24)25)11-17(16)29-19(21)22/h4-9,11,13,19H,10H2,1H3,(H,26,27)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of Cav1.2 calcium channelMore data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344068(CHEMBL1777861 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
Show SMILES CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C20H15F5O4/c1-2-3-13(10-18(26)27)12-4-7-15(8-5-12)28-16-9-6-14(20(23,24)25)11-17(16)29-19(21)22/h4-9,11,13,19H,10H2,1H3,(H,26,27)
Affinity DataIC50: 12nMAssay 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
LigandPNGBDBM50344068(CHEMBL1777861 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
Show SMILES CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C20H15F5O4/c1-2-3-13(10-18(26)27)12-4-7-15(8-5-12)28-16-9-6-14(20(23,24)25)11-17(16)29-19(21)22/h4-9,11,13,19H,10H2,1H3,(H,26,27)
Affinity DataEC50:  455nMAssay 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
LigandPNGBDBM50344068(CHEMBL1777861 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
Show SMILES CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C20H15F5O4/c1-2-3-13(10-18(26)27)12-4-7-15(8-5-12)28-16-9-6-14(20(23,24)25)11-17(16)29-19(21)22/h4-9,11,13,19H,10H2,1H3,(H,26,27)
Affinity DataEC50:  71nMAssay Description:Agonist activity at human GPR40 expressed in CHO cells assessed as intracellular calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344068(CHEMBL1777861 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
Show SMILES CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C20H15F5O4/c1-2-3-13(10-18(26)27)12-4-7-15(8-5-12)28-16-9-6-14(20(23,24)25)11-17(16)29-19(21)22/h4-9,11,13,19H,10H2,1H3,(H,26,27)
Affinity DataIC50: 6.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344068(CHEMBL1777861 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
Show SMILES CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C20H15F5O4/c1-2-3-13(10-18(26)27)12-4-7-15(8-5-12)28-16-9-6-14(20(23,24)25)11-17(16)29-19(21)22/h4-9,11,13,19H,10H2,1H3,(H,26,27)
Affinity DataEC50:  436nMAssay 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
LigandPNGBDBM50344068(CHEMBL1777861 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
Show SMILES CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C20H15F5O4/c1-2-3-13(10-18(26)27)12-4-7-15(8-5-12)28-16-9-6-14(20(23,24)25)11-17(16)29-19(21)22/h4-9,11,13,19H,10H2,1H3,(H,26,27)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344068(CHEMBL1777861 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
Show SMILES CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C20H15F5O4/c1-2-3-13(10-18(26)27)12-4-7-15(8-5-12)28-16-9-6-14(20(23,24)25)11-17(16)29-19(21)22/h4-9,11,13,19H,10H2,1H3,(H,26,27)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344068(CHEMBL1777861 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
Show SMILES CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C20H15F5O4/c1-2-3-13(10-18(26)27)12-4-7-15(8-5-12)28-16-9-6-14(20(23,24)25)11-17(16)29-19(21)22/h4-9,11,13,19H,10H2,1H3,(H,26,27)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Mus musculus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344068(CHEMBL1777861 | rac-3-(4-(2-(difluoromethoxy)-4-(t...)
Show SMILES CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C20H15F5O4/c1-2-3-13(10-18(26)27)12-4-7-15(8-5-12)28-16-9-6-14(20(23,24)25)11-17(16)29-19(21)22/h4-9,11,13,19H,10H2,1H3,(H,26,27)
Affinity DataEC50:  77nMAssay Description:Agonist activity at mouse GPR40 expressed in CHO cells assessed as intracellular calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair