Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50010472   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539233 (CHEMBL4642625) Show SMILES Cc1c(sc2ncnc(SCC(O)=O)c12)C(F)(F)F Show InChI InChI=1S/C10H7F3N2O2S2/c1-4-6-8(18-2-5(16)17)14-3-15-9(6)19-7(4)10(11,12)13/h3H,2H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539213 (CHEMBL4637176) Show SMILES Clc1sc2c(SCC(=O)N3CCn4cnnc4C3)ncnc2c1C1CC1 Show InChI InChI=1S/C16H15ClN6OS2/c17-15-12(9-1-2-9)13-14(26-15)16(19-7-18-13)25-6-11(24)22-3-4-23-8-20-21-10(23)5-22/h7-9H,1-6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50154397 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair				3D Structure (crystal)
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539211 (CHEMBL4642915) Show SMILES Clc1sc2c(SCC(=O)N3CNC(=O)C3)ncnc2c1C1CC1 Show InChI InChI=1S/C14H13ClN4O2S2/c15-13-10(7-1-2-7)11-12(23-13)14(17-5-16-11)22-4-9(21)19-3-8(20)18-6-19/h5,7H,1-4,6H2,(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539244 (CHEMBL4648963) Show SMILES CN1CN(CC1=O)C(=O)CSc1ncnc2c(C3CC3)c(Cl)sc12 Show InChI InChI=1S/C15H15ClN4O2S2/c1-19-7-20(4-9(19)21)10(22)5-23-15-13-12(17-6-18-15)11(8-2-3-8)14(16)24-13/h6,8H,2-5,7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539246 (CHEMBL4632439) Show SMILES CN1CN(CC1=O)C(=O)CSc1ncnc2sc(c(C)c12)C(F)(F)F Show InChI InChI=1S/C14H13F3N4O2S2/c1-7-10-12(18-5-19-13(10)25-11(7)14(15,16)17)24-4-9(23)21-3-8(22)20(2)6-21/h5H,3-4,6H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539220 (CHEMBL4646043) Show SMILES CN1CN(CC1=O)C(=O)CSc1ncnc2sc(C)c(Cl)c12 Show InChI InChI=1S/C13H13ClN4O2S2/c1-7-11(14)10-12(15-5-16-13(10)22-7)21-4-9(20)18-3-8(19)17(2)6-18/h5H,3-4,6H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539221 (CHEMBL4637948) Show SMILES CCN1CN(CC1=O)C(=O)CSc1ncnc2sc(C)c(Cl)c12 Show InChI InChI=1S/C14H15ClN4O2S2/c1-3-18-7-19(4-9(18)20)10(21)5-22-13-11-12(15)8(2)23-14(11)17-6-16-13/h6H,3-5,7H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539212 (CHEMBL4648770) Show SMILES Cc1sc2ncnc(SCC(=O)N3CNC(=O)C3)c2c1Cl Show InChI InChI=1S/C12H11ClN4O2S2/c1-6-10(13)9-11(14-4-15-12(9)21-6)20-3-8(19)17-2-7(18)16-5-17/h4H,2-3,5H2,1H3,(H,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50154387 (CHEMBL3774528) Show SMILES Cc1sc2ncnc(SCC(O)=O)c2c1Cl Show InChI InChI=1S/C9H7ClN2O2S2/c1-4-7(10)6-8(15-2-5(13)14)11-3-12-9(6)16-4/h3H,2H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539243 (CHEMBL4637227) Show SMILES Cc1c(oc2ncnc(SCC(O)=O)c12)C(F)(F)F Show InChI InChI=1S/C10H7F3N2O3S/c1-4-6-8(18-7(4)10(11,12)13)14-3-15-9(6)19-2-5(16)17/h3H,2H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539214 (CHEMBL4641132) Show SMILES Cc1sc2ncnc(SCC(=O)N3CCn4cnnc4C3)c2c1Cl Show InChI InChI=1S/C14H13ClN6OS2/c1-8-12(15)11-13(16-6-17-14(11)24-8)23-5-10(22)20-2-3-21-7-18-19-9(21)4-20/h6-7H,2-5H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539222 (CHEMBL4643862) Show SMILES Cc1sc2ncnc(SCC(=O)N3CN(C4CC4)C(=O)C3)c2c1Cl Show InChI InChI=1S/C15H15ClN4O2S2/c1-8-13(16)12-14(17-6-18-15(12)24-8)23-5-11(22)19-4-10(21)20(7-19)9-2-3-9/h6,9H,2-5,7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539248 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539234 (CHEMBL4641550) Show SMILES Cc1sc2ncnc(SCC(O)=O)c2c1C(F)(F)F Show InChI InChI=1S/C10H7F3N2O2S2/c1-4-7(10(11,12)13)6-8(18-2-5(16)17)14-3-15-9(6)19-4/h3H,2H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539223 (CHEMBL4634865) Show SMILES Cc1sc2ncnc(SCC(=O)N3CN(CC(F)(F)F)C(=O)C3)c2c1Cl Show InChI InChI=1S/C14H12ClF3N4O2S2/c1-7-11(15)10-12(19-5-20-13(10)26-7)25-3-9(24)21-2-8(23)22(6-21)4-14(16,17)18/h5H,2-4,6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539216 (CHEMBL4636343) Show SMILES CCN1CCN(CC1=O)C(=O)CSc1ncnc2sc(C)c(Cl)c12 Show InChI InChI=1S/C15H17ClN4O2S2/c1-3-19-4-5-20(6-10(19)21)11(22)7-23-14-12-13(16)9(2)24-15(12)18-8-17-14/h8H,3-7H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539210 (CHEMBL4641545) Show SMILES Cc1sc2ncnc(SCC(=O)N3CCNC(=O)C3)c2c1Cl Show InChI InChI=1S/C13H13ClN4O2S2/c1-7-11(14)10-12(16-6-17-13(10)22-7)21-5-9(20)18-3-2-15-8(19)4-18/h6H,2-5H2,1H3,(H,15,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50154370 (CHEMBL1689356) Show SMILES Cc1sc2ncnc(SCC(O)=O)c2c1C Show InChI InChI=1S/C10H10N2O2S2/c1-5-6(2)16-10-8(5)9(11-4-12-10)15-3-7(13)14/h4H,3H2,1-2H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539215 (CHEMBL4647057) Show SMILES CN1CCN(CC1=O)C(=O)CSc1ncnc2sc(C)c(Cl)c12 Show InChI InChI=1S/C14H15ClN4O2S2/c1-8-12(15)11-13(16-7-17-14(11)23-8)22-6-10(21)19-4-3-18(2)9(20)5-19/h7H,3-6H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539247 (CHEMBL4636894) Show SMILES CN1CN(CC1=O)C(=O)CSc1ncnc2sc(C)c(c12)C(F)(F)F Show InChI InChI=1S/C14H13F3N4O2S2/c1-7-11(14(15,16)17)10-12(18-5-19-13(10)25-7)24-4-9(23)21-3-8(22)20(2)6-21/h5H,3-4,6H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539209 (CHEMBL4640648) Show SMILES Clc1sc2c(SCC(=O)N3CCNC(=O)C3)ncnc2c1C1CC1 Show InChI InChI=1S/C15H15ClN4O2S2/c16-14-11(8-1-2-8)12-13(24-14)15(19-7-18-12)23-6-10(22)20-4-3-17-9(21)5-20/h7-8H,1-6H2,(H,17,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539203 (CHEMBL4646342) Show SMILES CN(C)C(=O)CSc1ncnc2c(C3CC3)c(Cl)sc12 Show InChI InChI=1S/C13H14ClN3OS2/c1-17(2)8(18)5-19-13-11-10(15-6-16-13)9(7-3-4-7)12(14)20-11/h6-7H,3-5H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539236 (CHEMBL4632898) Show SMILES OC(=O)CSc1ncnc2c(C3CC3)c(sc12)C#N Show InChI InChI=1S/C12H9N3O2S2/c13-3-7-9(6-1-2-6)10-11(19-7)12(15-5-14-10)18-4-8(16)17/h5-6H,1-2,4H2,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539245 (CHEMBL4632460) Show SMILES CN1CN(CC1=O)C(=O)CSc1ncnc2sc(C)c(C)c12 Show InChI InChI=1S/C14H16N4O2S2/c1-8-9(2)22-14-12(8)13(15-6-16-14)21-5-11(20)18-4-10(19)17(3)7-18/h6H,4-5,7H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539229 (CHEMBL4636249) Show SMILES Cc1nc2CN(CCn2n1)C(=O)CSc1ncnc2sc(C)c(Cl)c12 Show InChI InChI=1S/C15H15ClN6OS2/c1-8-13(16)12-14(17-7-18-15(12)25-8)24-6-11(23)21-3-4-22-10(5-21)19-9(2)20-22/h7H,3-6H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539228 (CHEMBL4642569) Show SMILES Cc1sc2ncnc(SCC(=O)N3CCn4ncnc4C3)c2c1Cl Show InChI InChI=1S/C14H13ClN6OS2/c1-8-12(15)11-13(17-6-18-14(11)24-8)23-5-10(22)20-2-3-21-9(4-20)16-7-19-21/h6-7H,2-5H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539204 (CHEMBL4649597) Show SMILES CN(C)C(=O)CSc1ncnc2sc(C)c(Cl)c12 Show InChI InChI=1S/C11H12ClN3OS2/c1-6-9(12)8-10(13-5-14-11(8)18-6)17-4-7(16)15(2)3/h5H,4H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539224 (CHEMBL4634165) Show SMILES Cc1nnc2CN(CCn12)C(=O)CSc1ncnc2sc(C)c(Cl)c12 Show InChI InChI=1S/C15H15ClN6OS2/c1-8-13(16)12-14(17-7-18-15(12)25-8)24-6-11(23)21-3-4-22-9(2)19-20-10(22)5-21/h7H,3-6H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539207 (CHEMBL4645675) Show SMILES Clc1sc2c(SCC(=O)N3CCOCC3)ncnc2c1C1CC1 Show InChI InChI=1S/C15H16ClN3O2S2/c16-14-11(9-1-2-9)12-13(23-14)15(18-8-17-12)22-7-10(20)19-3-5-21-6-4-19/h8-9H,1-7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539230 (CHEMBL4643464) Show SMILES Cc1sc2ncnc(SCC(=O)N3CCn4nc(nc4C3)C(F)(F)F)c2c1Cl Show InChI InChI=1S/C15H12ClF3N6OS2/c1-7-11(16)10-12(20-6-21-13(10)28-7)27-5-9(26)24-2-3-25-8(4-24)22-14(23-25)15(17,18)19/h6H,2-5H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539219 (CHEMBL4640262) Show SMILES Cc1sc2ncnc(SCC(=O)N3CC4CCCN4C(=O)C3)c2c1Cl Show InChI InChI=1S/C16H17ClN4O2S2/c1-9-14(17)13-15(18-8-19-16(13)25-9)24-7-12(23)20-5-10-3-2-4-21(10)11(22)6-20/h8,10H,2-7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539225 (CHEMBL4639884) Show SMILES CCc1nnc2CN(CCn12)C(=O)CSc1ncnc2sc(C)c(Cl)c12 Show InChI InChI=1S/C16H17ClN6OS2/c1-3-10-20-21-11-6-22(4-5-23(10)11)12(24)7-25-15-13-14(17)9(2)26-16(13)19-8-18-15/h8H,3-7H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539235 (CHEMBL4641272) Show SMILES Cc1c(sc2ncnc(SCC(O)=O)c12)C#N Show InChI InChI=1S/C10H7N3O2S2/c1-5-6(2-11)17-10-8(5)9(12-4-13-10)16-3-7(14)15/h4H,3H2,1H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539226 (CHEMBL4642382) Show SMILES Cc1sc2ncnc(SCC(=O)N3CCn4c(C3)nnc4C3CC3)c2c1Cl Show InChI InChI=1S/C17H17ClN6OS2/c1-9-14(18)13-16(19-8-20-17(13)27-9)26-7-12(25)23-4-5-24-11(6-23)21-22-15(24)10-2-3-10/h8,10H,2-7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539217 (CHEMBL4635221) Show SMILES CC1CN(CC(=O)N1)C(=O)CSc1ncnc2sc(C)c(Cl)c12 Show InChI InChI=1S/C14H15ClN4O2S2/c1-7-3-19(4-9(20)18-7)10(21)5-22-13-11-12(15)8(2)23-14(11)17-6-16-13/h6-7H,3-5H2,1-2H3,(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539227 (CHEMBL4639527) Show SMILES Cc1sc2ncnc(SCC(=O)N3CCn4c(C3)nnc4C(F)(F)F)c2c1Cl Show InChI InChI=1S/C15H12ClF3N6OS2/c1-7-11(16)10-12(20-6-21-13(10)28-7)27-5-9(26)24-2-3-25-8(4-24)22-23-14(25)15(17,18)19/h6H,2-5H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539242 (CHEMBL4636078) Show SMILES Cc1oc2ncnc(SCC(O)=O)c2c1C Show InChI InChI=1S/C10H10N2O3S/c1-5-6(2)15-9-8(5)10(12-4-11-9)16-3-7(13)14/h4H,3H2,1-2H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539208 (CHEMBL4635158) Show SMILES Cc1sc2ncnc(SCC(=O)N3CCOCC3)c2c1Cl Show InChI InChI=1S/C13H14ClN3O2S2/c1-8-11(14)10-12(15-7-16-13(10)21-8)20-6-9(18)17-2-4-19-5-3-17/h7H,2-6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539249 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair				3D Structure (crystal)
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539205 (CHEMBL4644561) Show SMILES Clc1sc2c(SCC(=O)N3CCCCC3)ncnc2c1C1CC1 Show InChI InChI=1S/C16H18ClN3OS2/c17-15-12(10-4-5-10)13-14(23-15)16(19-9-18-13)22-8-11(21)20-6-2-1-3-7-20/h9-10H,1-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539206 (CHEMBL4638233) Show SMILES Cc1sc2ncnc(SCC(=O)N3CCCCC3)c2c1Cl Show InChI InChI=1S/C14H16ClN3OS2/c1-9-12(15)11-13(16-8-17-14(11)21-9)20-7-10(19)18-5-3-2-4-6-18/h8H,2-7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539218 (CHEMBL4637531) Show SMILES Cc1sc2ncnc(SCC(=O)N3CC(=O)NC(C)(C)C3)c2c1Cl Show InChI InChI=1S/C15H17ClN4O2S2/c1-8-12(16)11-13(17-7-18-14(11)24-8)23-5-10(22)20-4-9(21)19-15(2,3)6-20/h7H,4-6H2,1-3H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539231 (CHEMBL1689371) Show SMILES Cc1cc2c(SCC(O)=O)ncnc2s1 Show InChI InChI=1S/C9H8N2O2S2/c1-5-2-6-8(14-3-7(12)13)10-4-11-9(6)15-5/h2,4H,3H2,1H3,(H,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539241 (CHEMBL4641218) Show SMILES Cc1nn(C)c2ncnc(SCC(O)=O)c12 Show InChI InChI=1S/C9H10N4O2S/c1-5-7-8(13(2)12-5)10-4-11-9(7)16-3-6(14)15/h4H,3H2,1-2H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539232 (CHEMBL4642597) Show SMILES Cc1sc2nc(C)nc(SCC(O)=O)c2c1C Show InChI InChI=1S/C11H12N2O2S2/c1-5-6(2)17-11-9(5)10(12-7(3)13-11)16-4-8(14)15/h4H2,1-3H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539239 (CHEMBL4635981) Show SMILES Cn1ccc2c(SCC(O)=O)ncnc12 Show InChI InChI=1S/C9H9N3O2S/c1-12-3-2-6-8(12)10-5-11-9(6)15-4-7(13)14/h2-3,5H,4H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539238 (CHEMBL4633749) Show SMILES OC(=O)CSc1ncnc2[nH]cc(Cl)c12 Show InChI InChI=1S/C8H6ClN3O2S/c9-4-1-10-7-6(4)8(12-3-11-7)15-2-5(13)14/h1,3H,2H2,(H,13,14)(H,10,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50539248 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50539248 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
					More data for this Ligand-Target Pair

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