Compile Data Set for Download or QSAR
Found 5 Enz. Inhib. hit(s) with all data for assayid = 13 entry = 50039804
LigandPNGBDBM50384444(CHEMBL2035510)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2cccc(F)c2c1
Show InChI InChI=1S/C21H17FN2O4/c1-11(2)21(19(26)24-20(27)28-21)15-8-9-17(23-18(15)25)13-7-6-12-4-3-5-16(22)14(12)10-13/h3-11H,1-2H3,(H,23,25)(H,24,26,27)
Affinity DataKi:  3.16nMAssay Description:Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs...More data for this Ligand-Target Pair
LigandPNGBDBM50384445(CHEMBL2035508)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C20H19N3O4/c1-11(2)20(18(25)22-19(26)27-20)14-5-6-15(21-17(14)24)12-4-7-16-13(10-12)8-9-23(16)3/h4-11H,1-3H3,(H,21,24)(H,22,25,26)
Affinity DataKi:  7.94nMAssay Description:Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs...More data for this Ligand-Target Pair
LigandPNGBDBM50384443(CHEMBL1770317)
Show SMILES CC(C)C1(OC(O)=NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)
Affinity DataKi:  10nMAssay Description:Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs...More data for this Ligand-Target Pair
LigandPNGBDBM50384446(CHEMBL2035509)
Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc(C)c(C)c1
Show InChI InChI=1S/C19H20N2O4/c1-10(2)19(17(23)21-18(24)25-19)14-7-8-15(20-16(14)22)13-6-5-11(3)12(4)9-13/h5-10H,1-4H3,(H,20,22)(H,21,23,24)
Affinity DataKi:  12.6nMAssay Description:Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs...More data for this Ligand-Target Pair
LigandPNGBDBM50384442(CHEMBL2035507)
Show SMILES Oc1[nH]c(=O)oc1-c1ccc([nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H12N2O4/c21-16-13(15-17(22)20-18(23)24-15)7-8-14(19-16)12-6-5-10-3-1-2-4-11(10)9-12/h1-9,22H,(H,19,21)(H,20,23)
Affinity DataKi:  316nMAssay Description:Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs...More data for this Ligand-Target Pair