Compile Data Set for Download or QSAR

Found 767 hits Enz. Inhib. hit(s) with Target = 'Palmitoleoyl-protein carboxylesterase NOTUM'   

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))	BDBM50554469 (CHEMBL4796694) Show SMILES CC(C)(C)c1ccc(cc1)-c1n[nH]c(=O)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0510	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50554470 (CHEMBL4752559) Show SMILES CC(C)c1ccc(cc1)-c1n[nH]c(=O)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0750	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50554462 (CHEMBL4784029) Show SMILES CN(C)c1ccc(cc1)-c1n[nH]c(=O)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50554475 (CHEMBL4757064) Show SMILES CN(C)c1cccc(c1)-c1n[nH]c(=O)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50554479 (CHEMBL4741570) Show SMILES O=c1[nH]nc(o1)-c1cccc(c1)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50554471 (CHEMBL4761454) Show SMILES O=c1[nH]nc(o1)-c1ccc(cc1)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50554472 (CHEMBL4787488) Show SMILES CCc1ccc(cc1)-c1n[nH]c(=O)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50554464 (CHEMBL4750152) Show SMILES CC(C)Oc1ccc(cc1)-c1n[nH]c(=O)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50144578 (CHEMBL3760062) Show SMILES OC(=O)c1cc2CCc3c(Cl)cc(F)cc3-c2s1 Show InChI InChI=1S/C13H8ClFO2S/c14-10-5-7(15)4-9-8(10)2-1-6-3-11(13(16)17)18-12(6)9/h3-5H,1-2H2,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01974 BindingDB Entry DOI: 10.7270/Q2NP28F9
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50554484 (CHEMBL4747825) Show SMILES FC(F)(F)c1ccccc1-c1n[nH]c(=O)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50554480 (CHEMBL4757561) Show SMILES CCc1cccc(c1)-c1n[nH]c(=O)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50554467 (CHEMBL4759088) Show SMILES FC(F)(F)c1ccc(cc1)-c1n[nH]c(=O)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50554477 (CHEMBL2426243) Show SMILES FC(F)(F)c1cccc(c1)-c1n[nH]c(=O)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					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	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01974 BindingDB Entry DOI: 10.7270/Q2NP28F9
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	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))	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
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
TBA					Assay Description Inhibition of C-terminal His-tagged Notum (Ser81-Thr451 Cys330Ser) (unknown origin) using OPTS as substrate by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01735 BindingDB Entry DOI: 10.7270/Q2HQ43T1
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	BDBM50554476 (CHEMBL4782633) Show SMILES COc1cccc(c1)-c1n[nH]c(=O)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50554465 (CHEMBL4776064) Show SMILES COc1ccc(cc1)-c1n[nH]c(=O)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					More data for this Ligand-Target Pair
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))	BDBM50554483 (CHEMBL4085008) Show SMILES Clc1cccc(c1)-c1n[nH]c(=O)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50554457 (CHEMBL4793575) Show SMILES FC(F)(F)c1cc(ccc1C1CC1)-c1n[nH]c(=O)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50554473 (CHEMBL4754273) Show SMILES Cc1ccc(cc1)-c1n[nH]c(=O)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					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	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01974 BindingDB Entry DOI: 10.7270/Q2NP28F9
					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))	BDBM50554481 (CHEMBL4743027) Show SMILES Cc1cccc(c1)-c1n[nH]c(=O)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50554456 (CHEMBL4791705) Show SMILES FC(F)(F)c1ccc(cc1C1CC1)-c1n[nH]c(=O)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM601043 (4-[2,4-dichloro-3-(trifluoromethyl)phenyl]-1H-tria...) Show SMILES FC(F)(F)c1c(Cl)ccc(I)c1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2ZS31FM
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM601048 (2-[2,4-dichloro-3-(trifluoromethyl)phenyl]-1,3,4-o...) Show SMILES FC(F)(F)c1c(Cl)ccc(-c2nnco2)c1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2ZS31FM
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50554468 (CHEMBL4749659) Show SMILES FC(F)c1ccc(cc1)-c1n[nH]c(=O)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					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))	BDBM50554478 (CHEMBL4763193) Show SMILES FC(F)c1cccc(c1)-c1n[nH]c(=O)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					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))	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))	BDBM50554474 (CHEMBL4761164) Show SMILES Fc1ccc(cc1)-c1n[nH]c(=O)o1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM600981 (2-(2,4-dichloro-3-(trifluoromethyl)phenyl)-5-(meth...) Show SMILES COc1nnc(o1)-c1ccc(Cl)c(c1Cl)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2ZS31FM
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50427205 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					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))	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
TBA					Assay Description Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01391 BindingDB Entry DOI: 10.7270/Q2988BNV
					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))	BDBM50583122 (CHEMBL5078659) Show SMILES FC(F)(F)Oc1cccc(Sc2ccc3n[nH]c(=O)n3n2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Notum (81 to 451 Cys330Ser) using OPTS as substrate incubated for 40 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01735 BindingDB Entry DOI: 10.7270/Q2HQ43T1
					More data for this Ligand-Target Pair				3D Structure (crystal)
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

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