Compile Data Set for Download or QSAR
Found 70 Enz. Inhib. hit(s) with all data for entry = 50012136
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554469(CHEMBL4796694)
Show SMILES CC(C)(C)c1ccc(cc1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C12H14N2O2/c1-12(2,3)9-6-4-8(5-7-9)10-13-14-11(15)16-10/h4-7H,1-3H3,(H,14,15)
Affinity DataIC50: 0.0510nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554470(CHEMBL4752559)
Show SMILES CC(C)c1ccc(cc1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C11H12N2O2/c1-7(2)8-3-5-9(6-4-8)10-12-13-11(14)15-10/h3-7H,1-2H3,(H,13,14)
Affinity DataIC50: 0.0750nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554475(CHEMBL4757064)
Show SMILES CN(C)c1cccc(c1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C10H11N3O2/c1-13(2)8-5-3-4-7(6-8)9-11-12-10(14)15-9/h3-6H,1-2H3,(H,12,14)
Affinity DataIC50: 0.190nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554462(CHEMBL4784029)
Show SMILES CN(C)c1ccc(cc1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C10H11N3O2/c1-13(2)8-5-3-7(4-6-8)9-11-12-10(14)15-9/h3-6H,1-2H3,(H,12,14)
Affinity DataIC50: 0.190nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554479(CHEMBL4741570)
Show SMILES O=c1[nH]nc(o1)-c1cccc(c1)C1CC1
Show InChI InChI=1S/C11H10N2O2/c14-11-13-12-10(15-11)9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2,(H,13,14)
Affinity DataIC50: 0.260nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554471(CHEMBL4761454)
Show SMILES O=c1[nH]nc(o1)-c1ccc(cc1)C1CC1
Show InChI InChI=1S/C11H10N2O2/c14-11-13-12-10(15-11)9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2H2,(H,13,14)
Affinity DataIC50: 0.260nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554472(CHEMBL4787488)
Show SMILES CCc1ccc(cc1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C10H10N2O2/c1-2-7-3-5-8(6-4-7)9-11-12-10(13)14-9/h3-6H,2H2,1H3,(H,12,13)
Affinity DataIC50: 0.270nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554464(CHEMBL4750152)
Show SMILES CC(C)Oc1ccc(cc1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C11H12N2O3/c1-7(2)15-9-5-3-8(4-6-9)10-12-13-11(14)16-10/h3-7H,1-2H3,(H,13,14)
Affinity DataIC50: 0.350nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554484(CHEMBL4747825)
Show SMILES FC(F)(F)c1ccccc1-c1n[nH]c(=O)o1
Show InChI InChI=1S/C9H5F3N2O2/c10-9(11,12)6-4-2-1-3-5(6)7-13-14-8(15)16-7/h1-4H,(H,14,15)
Affinity DataIC50: 0.430nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554480(CHEMBL4757561)
Show SMILES CCc1cccc(c1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C10H10N2O2/c1-2-7-4-3-5-8(6-7)9-11-12-10(13)14-9/h3-6H,2H2,1H3,(H,12,13)
Affinity DataIC50: 0.450nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554467(CHEMBL4759088)
Show SMILES FC(F)(F)c1ccc(cc1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C9H5F3N2O2/c10-9(11,12)6-3-1-5(2-4-6)7-13-14-8(15)16-7/h1-4H,(H,14,15)
Affinity DataIC50: 0.460nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554477(CHEMBL2426243)
Show SMILES FC(F)(F)c1cccc(c1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C9H5F3N2O2/c10-9(11,12)6-3-1-2-5(4-6)7-13-14-8(15)16-7/h1-4H,(H,14,15)
Affinity DataIC50: 0.780nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50154397(CHEMBL3774760)
Show SMILES OC(=O)CSc1ncnc2c(C3CC3)c(Cl)sc12
Show InChI InChI=1S/C11H9ClN2O2S2/c12-10-7(5-1-2-5)8-9(18-10)11(14-4-13-8)17-3-6(15)16/h4-5H,1-3H2,(H,15,16)
Affinity DataIC50: 1.10nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554476(CHEMBL4782633)
Show SMILES COc1cccc(c1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C9H8N2O3/c1-13-7-4-2-3-6(5-7)8-10-11-9(12)14-8/h2-5H,1H3,(H,11,12)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554465(CHEMBL4776064)
Show SMILES COc1ccc(cc1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C9H8N2O3/c1-13-7-4-2-6(3-5-7)8-10-11-9(12)14-8/h2-5H,1H3,(H,11,12)
Affinity DataIC50: 1.40nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554483(CHEMBL4085008)
Show SMILES Clc1cccc(c1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C8H5ClN2O2/c9-6-3-1-2-5(4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554457(CHEMBL4793575)
Show SMILES FC(F)(F)c1cc(ccc1C1CC1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C12H9F3N2O2/c13-12(14,15)9-5-7(10-16-17-11(18)19-10)3-4-8(9)6-1-2-6/h3-6H,1-2H2,(H,17,18)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554473(CHEMBL4754273)
Show SMILES Cc1ccc(cc1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C9H8N2O2/c1-6-2-4-7(5-3-6)8-10-11-9(12)13-8/h2-5H,1H3,(H,11,12)
Affinity DataIC50: 2nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554456(CHEMBL4791705)
Show SMILES FC(F)(F)c1ccc(cc1C1CC1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C12H9F3N2O2/c13-12(14,15)9-4-3-7(5-8(9)6-1-2-6)10-16-17-11(18)19-10/h3-6H,1-2H2,(H,17,18)
Affinity DataIC50: 2.90nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554481(CHEMBL4743027)
Show SMILES Cc1cccc(c1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C9H8N2O2/c1-6-3-2-4-7(5-6)8-10-11-9(12)13-8/h2-5H,1H3,(H,11,12)
Affinity DataIC50: 2.90nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554468(CHEMBL4749659)
Show SMILES FC(F)c1ccc(cc1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C9H6F2N2O2/c10-7(11)5-1-3-6(4-2-5)8-12-13-9(14)15-8/h1-4,7H,(H,13,14)
Affinity DataIC50: 3nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554478(CHEMBL4763193)
Show SMILES FC(F)c1cccc(c1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C9H6F2N2O2/c10-7(11)5-2-1-3-6(4-5)8-12-13-9(14)15-8/h1-4,7H,(H,13,14)
Affinity DataIC50: 3.10nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554474(CHEMBL4761164)
Show SMILES Fc1ccc(cc1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C8H5FN2O2/c9-6-3-1-5(2-4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
Affinity DataIC50: 3.5nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50427205(CHEMBL2324854)
Show SMILES Cc1ccccc1-c1n[nH]c(=O)o1
Show InChI InChI=1S/C9H8N2O2/c1-6-4-2-3-5-7(6)8-10-11-9(12)13-8/h2-5H,1H3,(H,11,12)
Affinity DataIC50: 3.60nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50539248(CHEMBL4633059)
Show SMILES CN1CN(CC1=O)C(=O)CSc1ncnc2oc(c(C)c12)C(F)(F)F
Show InChI InChI=1S/C14H13F3N4O3S/c1-7-10-12(24-11(7)14(15,16)17)18-5-19-13(10)25-4-9(23)21-3-8(22)20(2)6-21/h5H,3-4,6H2,1-2H3
Affinity DataIC50: 3.90nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554458(CHEMBL4794717)
Show SMILES CC(C)c1ccc(cc1C(F)(F)F)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C12H11F3N2O2/c1-6(2)8-4-3-7(5-9(8)12(13,14)15)10-16-17-11(18)19-10/h3-6H,1-2H3,(H,17,18)
Affinity DataIC50: 6.20nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554486(CHEMBL4079629)
Show SMILES Clc1ccccc1-c1n[nH]c(=O)o1
Show InChI InChI=1S/C8H5ClN2O2/c9-6-4-2-1-3-5(6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
Affinity DataIC50: 6.70nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554485(CHEMBL4758707)
Show SMILES Fc1ccccc1-c1n[nH]c(=O)o1
Show InChI InChI=1S/C8H5FN2O2/c9-6-4-2-1-3-5(6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
Affinity DataIC50: 11nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554450(CHEMBL4760228)
Show SMILES FC(F)(F)c1cc(ccc1Cl)-c1nnco1
Show InChI InChI=1S/C9H4ClF3N2O/c10-7-2-1-5(8-15-14-4-16-8)3-6(7)9(11,12)13/h1-4H
Affinity DataIC50: 13nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554482(CHEMBL4786162)
Show SMILES Fc1cccc(c1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C8H5FN2O2/c9-6-3-1-2-5(4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
Affinity DataIC50: 13nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554455(CHEMBL4799989)
Show SMILES CN(C)c1ccc(cc1C(F)(F)F)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C11H10F3N3O2/c1-17(2)8-4-3-6(5-7(8)11(12,13)14)9-15-16-10(18)19-9/h3-5H,1-2H3,(H,16,18)
Affinity DataIC50: 15nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554460(CHEMBL4788846)
Show SMILES FC(F)(F)c1cc(ccc1Cl)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C9H4ClF3N2O2/c10-6-2-1-4(3-5(6)9(11,12)13)7-14-15-8(16)17-7/h1-3H,(H,15,16)
Affinity DataIC50: 18nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554463(CHEMBL4745403)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C8H5N3O4/c12-8-10-9-7(15-8)5-1-3-6(4-2-5)11(13)14/h1-4H,(H,10,12)
Affinity DataIC50: 18nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554466(CHEMBL4744661)
Show SMILES O=c1[nH]nc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C9H5N3O2/c10-5-6-1-3-7(4-2-6)8-11-12-9(13)14-8/h1-4H,(H,12,13)
Affinity DataIC50: 27nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554451(CHEMBL4756992)
Show SMILES FC(F)(F)c1cc(ccc1Cl)-c1n[nH]c(=O)s1
Show InChI InChI=1S/C9H4ClF3N2OS/c10-6-2-1-4(3-5(6)9(11,12)13)7-14-15-8(16)17-7/h1-3H,(H,15,16)
Affinity DataIC50: 31nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554459(CHEMBL4780504)
Show SMILES Cc1ccc(cc1C(F)(F)F)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C10H7F3N2O2/c1-5-2-3-6(4-7(5)10(11,12)13)8-14-15-9(16)17-8/h2-4H,1H3,(H,15,16)
Affinity DataIC50: 31nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554452(CHEMBL4762374)
Show SMILES CN1CCN(C)c2cc(ccc12)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C12H14N4O2/c1-15-5-6-16(2)10-7-8(3-4-9(10)15)11-13-14-12(17)18-11/h3-4,7H,5-6H2,1-2H3,(H,14,17)
Affinity DataIC50: 32nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554453(CHEMBL4789348)
Show SMILES CN1CCc2ccc(cc12)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C11H11N3O2/c1-14-5-4-7-2-3-8(6-9(7)14)10-12-13-11(15)16-10/h2-3,6H,4-5H2,1H3,(H,13,15)
Affinity DataIC50: 33nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50427208(CHEMBL554820)
Show SMILES O=c1[nH]nc(o1)-c1ccccc1
Show InChI InChI=1S/C8H6N2O2/c11-8-10-9-7(12-8)6-4-2-1-3-5-6/h1-5H,(H,10,11)
Affinity DataIC50: 41nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50539249(CHEMBL4441123)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc2cnccc2c1
Show InChI InChI=1S/C18H16N2O2/c1-13-4-2-3-5-17(13)22-12-18(21)20-16-7-6-15-11-19-9-8-14(15)10-16/h2-11H,12H2,1H3,(H,20,21)
Affinity DataIC50: 85nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50543229(CHEMBL4637220)
Show SMILES OC(=O)[C@H]1CCN(C1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C12H11ClF3NO2/c13-10-2-1-8(5-9(10)12(14,15)16)17-4-3-7(6-17)11(18)19/h1-2,5,7H,3-4,6H2,(H,18,19)/t7-/m0/s1
Affinity DataIC50: 110nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50361164(CHEMBL4174188)
Show SMILES Clc1ccc(CN2CCN3C(C2)C(=O)N(OC(=O)N2CCOc4ccccc24)C3=O)cc1
Show InChI InChI=1S/C22H21ClN4O5/c23-16-7-5-15(6-8-16)13-24-9-10-25-18(14-24)20(28)27(21(25)29)32-22(30)26-11-12-31-19-4-2-1-3-17(19)26/h1-8,18H,9-14H2
Affinity DataIC50: 170nMAssay Description:Covalent inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluoresc...More data for this Ligand-Target Pair
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554454(CHEMBL4751418)
Show SMILES CN1CCc2cc(ccc12)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C11H11N3O2/c1-14-5-4-7-6-8(2-3-9(7)14)10-12-13-11(15)16-10/h2-3,6H,4-5H2,1H3,(H,13,15)
Affinity DataIC50: 380nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554461(CHEMBL4794683)
Show SMILES Clc1ccc(cc1Cl)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C8H4Cl2N2O2/c9-5-2-1-4(3-6(5)10)7-11-12-8(13)14-7/h1-3H,(H,12,13)
Affinity DataIC50: 430nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554491(CHEMBL4749309)
Show SMILES Clc1ccc(cc1)-c1n[nH]c(=O)s1
Show InChI InChI=1S/C8H5ClN2OS/c9-6-3-1-5(2-4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
Affinity DataIC50: 940nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554487(CHEMBL3277006)
Show SMILES Oc1cc(on1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C9H6ClNO2/c10-7-3-1-6(2-4-7)8-5-9(12)11-13-8/h1-5H,(H,11,12)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554488(CHEMBL4102956)
Show SMILES Clc1ccc(cc1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C8H5ClN2O2/c9-6-3-1-5(2-4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554494(CHEMBL4764760)
Show SMILES Clc1ccc(cc1)-n1ccnn1
Show InChI InChI=1S/C8H6ClN3/c9-7-1-3-8(4-2-7)12-6-5-10-11-12/h1-6H
Affinity DataIC50: 2.90E+3nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50554499(CHEMBL4741008)
Show SMILES OCc1cc(on1)-c1ccccc1
Show InChI InChI=1S/C10H9NO2/c12-7-9-6-10(13-11-9)8-4-2-1-3-5-8/h1-6,12H,7H2
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM17459(1,2,3-triazole analogue, 15 | 5-(4-chlorophenyl)-1...)
Show SMILES Clc1ccc(cc1)-c1c[nH]nn1
Show InChI InChI=1S/C8H6ClN3/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
Affinity DataIC50: 4.20E+3nMAssay Description:Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...More data for this Ligand-Target Pair
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