BDBM50344086 CHEMBL1777878::cis-rac-5-(1-(4-(2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy)phenyl)but-2-ynyl)oxazolidine-2,4-dione

SMILES CC#C[C@H](c1oc(=O)[nH]c1O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1

InChI Key InChIKey=BYYGRGHKBACQED-AWEZNQCLSA-N

Data  6 IC50  2 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50344086   

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

Curated by ChEMBL
LigandPNGBDBM50344086(CHEMBL1777878 | cis-rac-5-(1-(4-(2-(difluoromethox...)
Show SMILES CC#C[C@H](c1oc(=O)[nH]c1O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H14F5NO5/c1-2-3-14(17-18(28)27-20(29)32-17)11-4-7-13(8-5-11)30-15-9-6-12(21(24,25)26)10-16(15)31-19(22)23/h4-10,14,19,28H,1H3,(H,27,29)/t14-/m0/s1
Affinity DataEC50:  130nMAssay 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
LigandPNGBDBM50344086(CHEMBL1777878 | cis-rac-5-(1-(4-(2-(difluoromethox...)
Show SMILES CC#C[C@H](c1oc(=O)[nH]c1O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H14F5NO5/c1-2-3-14(17-18(28)27-20(29)32-17)11-4-7-13(8-5-11)30-15-9-6-12(21(24,25)26)10-16(15)31-19(22)23/h4-10,14,19,28H,1H3,(H,27,29)/t14-/m0/s1
Affinity DataIC50: 5.10E+3nMAssay Description:Inhibition of Cav1.2 calcium channelMore data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Mus musculus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344086(CHEMBL1777878 | cis-rac-5-(1-(4-(2-(difluoromethox...)
Show SMILES CC#C[C@H](c1oc(=O)[nH]c1O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H14F5NO5/c1-2-3-14(17-18(28)27-20(29)32-17)11-4-7-13(8-5-11)30-15-9-6-12(21(24,25)26)10-16(15)31-19(22)23/h4-10,14,19,28H,1H3,(H,27,29)/t14-/m0/s1
Affinity DataEC50:  136nMAssay Description:Agonist activity at mouse GPR40 expressed in CHO cells assessed as intracellular calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344086(CHEMBL1777878 | cis-rac-5-(1-(4-(2-(difluoromethox...)
Show SMILES CC#C[C@H](c1oc(=O)[nH]c1O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H14F5NO5/c1-2-3-14(17-18(28)27-20(29)32-17)11-4-7-13(8-5-11)30-15-9-6-12(21(24,25)26)10-16(15)31-19(22)23/h4-10,14,19,28H,1H3,(H,27,29)/t14-/m0/s1
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344086(CHEMBL1777878 | cis-rac-5-(1-(4-(2-(difluoromethox...)
Show SMILES CC#C[C@H](c1oc(=O)[nH]c1O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H14F5NO5/c1-2-3-14(17-18(28)27-20(29)32-17)11-4-7-13(8-5-11)30-15-9-6-12(21(24,25)26)10-16(15)31-19(22)23/h4-10,14,19,28H,1H3,(H,27,29)/t14-/m0/s1
Affinity DataIC50: 2.40E+3nMAssay 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
LigandPNGBDBM50344086(CHEMBL1777878 | cis-rac-5-(1-(4-(2-(difluoromethox...)
Show SMILES CC#C[C@H](c1oc(=O)[nH]c1O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H14F5NO5/c1-2-3-14(17-18(28)27-20(29)32-17)11-4-7-13(8-5-11)30-15-9-6-12(21(24,25)26)10-16(15)31-19(22)23/h4-10,14,19,28H,1H3,(H,27,29)/t14-/m0/s1
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344086(CHEMBL1777878 | cis-rac-5-(1-(4-(2-(difluoromethox...)
Show SMILES CC#C[C@H](c1oc(=O)[nH]c1O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H14F5NO5/c1-2-3-14(17-18(28)27-20(29)32-17)11-4-7-13(8-5-11)30-15-9-6-12(21(24,25)26)10-16(15)31-19(22)23/h4-10,14,19,28H,1H3,(H,27,29)/t14-/m0/s1
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
TargetFree fatty acid receptor 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344086(CHEMBL1777878 | cis-rac-5-(1-(4-(2-(difluoromethox...)
Show SMILES CC#C[C@H](c1oc(=O)[nH]c1O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H14F5NO5/c1-2-3-14(17-18(28)27-20(29)32-17)11-4-7-13(8-5-11)30-15-9-6-12(21(24,25)26)10-16(15)31-19(22)23/h4-10,14,19,28H,1H3,(H,27,29)/t14-/m0/s1
Affinity DataIC50: 151nMAssay Description:Inhibition of human GPR40 expressed in CHO cells by SPA based binding assayMore data for this Ligand-Target Pair