Compile Data Set for Download or QSAR
Found 4 Enz. Inhib. hit(s) with all data for entry = 50040977
TargetProthrombin(Homo sapiens (Human))
University of Ljubljana

Curated by ChEMBL
LigandPNGBDBM50403106(CHEMBL2216916)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2O[C@@H](COc3ccc(cc3)C(N)=N)COc2c1
Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)35-17-22(36-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/t22-/m0/s1
Affinity DataKi:  18nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
University of Ljubljana

Curated by ChEMBL
LigandPNGBDBM50403105(CHEMBL2216917)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC(COc3ccc(cc3)C(N)=N)COc2c1
Show InChI InChI=1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)35-17-22(36-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)
Affinity DataKi:  178nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
University of Ljubljana

Curated by ChEMBL
LigandPNGBDBM50365128(CHEMBL1949835 | CHEMBL2216906)
Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2ccc(cc12)N(CC(O)=O)Cc1cc(F)cc(F)c1
Show InChI InChI=1S/C27H28F2N4O4/c1-27(16-36-22-6-3-18(4-7-22)26(30)31)15-32(2)23-12-21(5-8-24(23)37-27)33(14-25(34)35)13-17-9-19(28)11-20(29)10-17/h3-12H,13-16H2,1-2H3,(H3,30,31)(H,34,35)
Affinity DataIC50: 2.25E+4nMAssay Description:Inhibition of human recombinant VEGFR2 expressed in Sf9 insect cells assessed as inhibition of poly(Glu,Tyr) 4:1 substrate phosphorylation by radiome...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
University of Ljubljana

Curated by ChEMBL
LigandPNGBDBM50349611(CHEMBL1808951 | CHEMBL2216905)
Show SMILES CCOC(=O)C(=O)N(Cc1cccc(F)c1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H31FN4O5/c1-4-37-28(36)27(35)34(16-19-6-5-7-21(30)14-19)22-10-13-25-24(15-22)33(3)17-29(2,39-25)18-38-23-11-8-20(9-12-23)26(31)32/h5-15H,4,16-18H2,1-3H3,(H3,31,32)
Affinity DataIC50: 8.00E+4nMAssay Description:Inhibition of human recombinant VEGFR2 expressed in Sf9 insect cells assessed as inhibition of poly(Glu,Tyr) 4:1 substrate phosphorylation by radiome...More data for this Ligand-Target Pair