Compile Data Set for Download or QSAR

Found 10 hits of ki data for polymerid = 5272   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acyl-protein thioesterase 2 (Homo sapiens (Human))	BDBM50336546 (CHEMBL1673415 | Palmostatin B) Show SMILES CCCCCCCCCC[C@H]1[C@H](CCc2ccc(OC)c(OC)c2)OC1=O |r| Show InChI InChI=1S/C23H36O4/c1-4-5-6-7-8-9-10-11-12-19-20(27-23(19)24)15-13-18-14-16-21(25-2)22(17-18)26-3/h14,16-17,19-20H,4-13,15H2,1-3H3/t19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of APT2 (unknown origin)				Medchemcomm 5: 268-276 (2014) Article DOI: 10.1039/c3md00333g BindingDB Entry DOI: 10.7270/Q2TX3JBM
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 2 (Homo sapiens (Human))	BDBM207992 (ML349) Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1 Show InChI InChI=1S/C23H22N2O4S2/c1-29-18-8-6-17(7-9-18)24-10-12-25(13-11-24)23(26)20-14-16-15-31(27,28)21-5-3-2-4-19(21)22(16)30-20/h2-9,14H,10-13,15H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	6.5	n/a
University of Michigan					Assay Description Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...				ACS Chem Biol 11: 3374-3382 (2016) Article DOI: 10.1021/acschembio.6b00720 BindingDB Entry DOI: 10.7270/Q29K492D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acyl-protein thioesterase 2 (Homo sapiens (Human))	BDBM207992 (ML349) Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1 Show InChI InChI=1S/C23H22N2O4S2/c1-29-18-8-6-17(7-9-18)24-10-12-25(13-11-24)23(26)20-14-16-15-31(27,28)21-5-3-2-4-19(21)22(16)30-20/h2-9,14H,10-13,15H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of HEK293T cells-derived His-tagged APT2 expressed in Escherichia coli BL21(DE3) preincubated for 30 mins followed by substrat...				ACS Med Chem Lett 8: 215-220 (2017) Article DOI: 10.1021/acsmedchemlett.6b00441 BindingDB Entry DOI: 10.7270/Q2V98B7S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acyl-protein thioesterase 2 (Homo sapiens (Human))	BDBM207992 (ML349) Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1 Show InChI InChI=1S/C23H22N2O4S2/c1-29-18-8-6-17(7-9-18)24-10-12-25(13-11-24)23(26)20-14-16-15-31(27,28)21-5-3-2-4-19(21)22(16)30-20/h2-9,14H,10-13,15H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of APT2 (unknown origin) by FluPol-ABPP assay				Medchemcomm 5: 268-276 (2014) Article DOI: 10.1039/c3md00333g BindingDB Entry DOI: 10.7270/Q2TX3JBM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acyl-protein thioesterase 2 (Homo sapiens (Human))	BDBM50496627 (CHEMBL3133032) Show SMILES CN(C)CCOB(c1ccccc1)c1ccc(COCc2ccc(cc2)B(OCCN(C)C)c2ccccc2)cc1 Show InChI InChI=1S/C34H42B2N2O3/c1-37(2)23-25-40-35(31-11-7-5-8-12-31)33-19-15-29(16-20-33)27-39-28-30-17-21-34(22-18-30)36(41-26-24-38(3)4)32-13-9-6-10-14-32/h5-22H,23-28H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of APT2 (unknown origin) by enzyme kinetic assay				Medchemcomm 5: 268-276 (2014) Article DOI: 10.1039/c3md00333g BindingDB Entry DOI: 10.7270/Q2TX3JBM
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 2 (Homo sapiens (Human))	BDBM50212216 (CHEMBL3944678) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCn3cc(COc4ccc(cc4)N4CCN(CC4)C(=O)c4cc5CS(=O)(=O)c6ccccc6-c5s4)nn3)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C43H54N8O9S3/c52-39(8-4-2-6-36-40-35(28-61-36)45-43(54)46-40)44-13-19-57-21-23-59-24-22-58-20-18-51-26-31(47-48-51)27-60-33-11-9-32(10-12-33)49-14-16-50(17-15-49)42(53)37-25-30-29-63(55,56)38-7-3-1-5-34(38)41(30)62-37/h1,3,5,7,9-12,25-26,35-36,40H,2,4,6,8,13-24,27-29H2,(H,44,52)(H2,45,46,54)/t35-,36-,40-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of HEK293T cells-derived His-tagged APT2 expressed in Escherichia coli BL21(DE3) preincubated for 30 mins followed by substrat...				ACS Med Chem Lett 8: 215-220 (2017) Article DOI: 10.1021/acsmedchemlett.6b00441 BindingDB Entry DOI: 10.7270/Q2V98B7S
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 2 (Homo sapiens (Human))	BDBM50212218 (CHEMBL3974081) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCN=[N+]=[N-])[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C18H32N6O5S/c19-24-21-6-8-28-10-12-29-11-9-27-7-5-20-16(25)4-2-1-3-15-17-14(13-30-15)22-18(26)23-17/h14-15,17H,1-13H2,(H,20,25)(H2,22,23,26)/t14-,15-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of HEK293T cells-derived His-tagged APT2 expressed in Escherichia coli BL21(DE3) preincubated for 30 mins followed by substrat...				ACS Med Chem Lett 8: 215-220 (2017) Article DOI: 10.1021/acsmedchemlett.6b00441 BindingDB Entry DOI: 10.7270/Q2V98B7S
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 2 (Homo sapiens (Human))	BDBM50212217 (CHEMBL3917640) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCn3cc(COc4ccccc4N4CCN(CC4)C(=O)c4cc5CS(=O)(=O)c6ccccc6-c5s4)nn3)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C43H54N8O9S3/c52-39(12-6-4-10-36-40-33(28-61-36)45-43(54)46-40)44-13-19-57-21-23-59-24-22-58-20-18-51-26-31(47-48-51)27-60-35-9-3-2-8-34(35)49-14-16-50(17-15-49)42(53)37-25-30-29-63(55,56)38-11-5-1-7-32(38)41(30)62-37/h1-3,5,7-9,11,25-26,33,36,40H,4,6,10,12-24,27-29H2,(H,44,52)(H2,45,46,54)/t33-,36-,40-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of HEK293T cells-derived His-tagged APT2 expressed in Escherichia coli BL21(DE3) preincubated for 30 mins followed by substrat...				ACS Med Chem Lett 8: 215-220 (2017) Article DOI: 10.1021/acsmedchemlett.6b00441 BindingDB Entry DOI: 10.7270/Q2V98B7S
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 2 (Homo sapiens (Human))	BDBM207991 (ML348) Show SMILES FC(F)(F)c1ccc(Cl)c(NC(=O)CN2CCN(CC2)C(=O)c2ccco2)c1 Show InChI InChI=1S/C18H17ClF3N3O3/c19-13-4-3-12(18(20,21)22)10-14(13)23-16(26)11-24-5-7-25(8-6-24)17(27)15-2-1-9-28-15/h1-4,9-10H,5-8,11H2,(H,23,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.5	n/a
University of Michigan					Assay Description Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...				ACS Chem Biol 11: 3374-3382 (2016) Article DOI: 10.1021/acschembio.6b00720 BindingDB Entry DOI: 10.7270/Q29K492D
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 2 (Homo sapiens (Human))	BDBM207991 (ML348) Show SMILES FC(F)(F)c1ccc(Cl)c(NC(=O)CN2CCN(CC2)C(=O)c2ccco2)c1 Show InChI InChI=1S/C18H17ClF3N3O3/c19-13-4-3-12(18(20,21)22)10-14(13)23-16(26)11-24-5-7-25(8-6-24)17(27)15-2-1-9-28-15/h1-4,9-10H,5-8,11H2,(H,23,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of APT2 (unknown origin) by FluPol-ABPP assay				Medchemcomm 5: 268-276 (2014) Article DOI: 10.1039/c3md00333g BindingDB Entry DOI: 10.7270/Q2TX3JBM
					More data for this Ligand-Target Pair