Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with Target = 'Arylacetamide deacetylase'   

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
Arylacetamide deacetylase (Homo sapiens (Human))	BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) Show SMILES CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kanazawa University Curated by ChEMBL					Assay Description Inhibition of AADAC in human kidney microsome				Drug Metab Dispos 40: 671-9 (2012) Article DOI: 10.1124/dmd.111.043067 BindingDB Entry DOI: 10.7270/Q2H133RV
					More data for this Ligand-Target Pair
Arylacetamide deacetylase (Homo sapiens (Human))	BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) Show SMILES CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kanazawa University Curated by ChEMBL					Assay Description Inhibition of AADAC in human jejunum microsome				Drug Metab Dispos 40: 671-9 (2012) Article DOI: 10.1124/dmd.111.043067 BindingDB Entry DOI: 10.7270/Q2H133RV
					More data for this Ligand-Target Pair
Arylacetamide deacetylase (Homo sapiens (Human))	BDBM50370232 (BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampic...) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:33,t:3,35| Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kanazawa University Curated by ChEMBL					Assay Description Inhibition of AADAC in human liver microsome				Drug Metab Dispos 40: 671-9 (2012) Article DOI: 10.1124/dmd.111.043067 BindingDB Entry DOI: 10.7270/Q2H133RV
					More data for this Ligand-Target Pair
Arylacetamide deacetylase (Homo sapiens (Human))	BDBM50370232 (BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampic...) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:33,t:3,35| Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kanazawa University Curated by ChEMBL					Assay Description Inhibition of human recombinant AADAC				Drug Metab Dispos 40: 671-9 (2012) Article DOI: 10.1124/dmd.111.043067 BindingDB Entry DOI: 10.7270/Q2H133RV
					More data for this Ligand-Target Pair
Arylacetamide deacetylase (Homo sapiens (Human))	BDBM50370232 (BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampic...) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:33,t:3,35| Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	7.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kanazawa University Curated by ChEMBL					Assay Description Inhibition of AADAC in human jejunum microsome				Drug Metab Dispos 40: 671-9 (2012) Article DOI: 10.1124/dmd.111.043067 BindingDB Entry DOI: 10.7270/Q2H133RV
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM26736 (CHEMBL509860 | LY2183240 | N,N-dimethyl-5-[(4-phen...) Show SMILES CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	7.4	22
The Scripps Research Institute					Assay Description Serine hydrolase targets were recombinantly expressed in COS-7 cells by transient transfection. IC50 values were obtained by competitive ABPP with F...				J Am Chem Soc 128: 9699-704 (2006) Article DOI: 10.1021/ja062999h BindingDB Entry DOI: 10.7270/Q20K26VX
					More data for this Ligand-Target Pair
Arylacetamide deacetylase (Homo sapiens (Human))	BDBM50454599 (CHEMBL4216368) Show SMILES Oc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:6.5,wD:9.12,(74.54,-31.49,;73.21,-30.71,;71.87,-31.48,;70.54,-30.71,;70.55,-29.17,;69.22,-28.4,;67.88,-29.16,;67.88,-30.7,;66.55,-31.47,;65.22,-30.69,;65.21,-29.16,;66.55,-28.39,;63.89,-31.47,;62.55,-30.7,;62.55,-29.16,;61.22,-31.47,;59.89,-30.7,;58.55,-31.47,;57.22,-30.7,;57.22,-29.16,;55.88,-28.39,;55.88,-26.85,;55.88,-25.45,;57.13,-25.83,;54.63,-25.83,;58.55,-28.39,;59.88,-29.15,;71.88,-28.4,;73.21,-29.17,)| Show InChI InChI=1S/C20H21F3N2O4/c21-20(22,23)29-18-9-3-14(4-10-18)25-19(27)24-13-1-7-16(8-2-13)28-17-11-5-15(26)6-12-17/h3-6,9-13,16,26H,1-2,7-8H2,(H2,24,25,27)/t13-,16-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of AADAC (unknown origin) expressed in baculovirus system using CMNA substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Arylacetamide deacetylase (Homo sapiens (Human))	BDBM158481 (US9029401, 1728 (t-TUCB)) Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:8.7,wD:11.14,(10,,;8.67,-.77,;8.67,-2.31,;7.34,,;6,-.77,;4.67,,;4.67,1.54,;3.33,2.31,;2,1.54,;2,,;.67,-.77,;-.67,,;-.67,1.54,;.67,2.31,;-2,-.77,;-3.33,,;-3.33,1.54,;-4.67,-.77,;-6,,;-6,1.54,;-7.34,2.31,;-8.67,1.54,;-10,2.31,;-10,3.85,;-10,5.39,;-8.67,4.62,;-11.34,4.62,;-8.67,,;-7.34,-.77,;6,2.31,;7.34,1.54,)| Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)/t14-,17-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of AADAC (unknown origin) expressed in baculovirus system using CMNA substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Arylacetamide deacetylase (Homo sapiens (Human))	BDBM50454598 (CHEMBL4215208) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(cc2)C(=O)OCc2ccccc2)cc1 |r,wU:16.19,wD:13.12,(30.34,-3.34,;30.34,-4.74,;31.59,-3.72,;29.09,-3.72,;30.34,-6.28,;31.68,-7.05,;31.67,-8.59,;33.01,-9.36,;34.35,-8.59,;35.68,-9.36,;37.01,-8.59,;37.01,-7.05,;38.35,-9.35,;39.68,-8.58,;41.01,-9.36,;42.34,-8.59,;42.34,-7.05,;41.01,-6.28,;39.67,-7.05,;43.68,-6.28,;45.01,-7.06,;45,-8.6,;46.33,-9.37,;47.67,-8.6,;47.67,-7.05,;46.34,-6.29,;49,-9.37,;49,-10.91,;50.34,-8.6,;51.67,-9.38,;53,-8.61,;54.33,-9.38,;55.67,-8.61,;55.67,-7.07,;54.33,-6.3,;53,-7.07,;34.34,-7.04,;33.01,-6.28,)| Show InChI InChI=1S/C28H27F3N2O5/c29-28(30,31)38-25-16-10-22(11-17-25)33-27(35)32-21-8-14-24(15-9-21)37-23-12-6-20(7-13-23)26(34)36-18-19-4-2-1-3-5-19/h1-7,10-13,16-17,21,24H,8-9,14-15,18H2,(H2,32,33,35)/t21-,24-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of AADAC (unknown origin) expressed in baculovirus system using CMNA substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50448897 (CHEMBL3125304) Show SMILES BrCc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1 Show InChI InChI=1S/C22H23BrN2O2/c23-14-18-12-13-19(24-15-18)21-16-25-22(27-21)20(26)11-7-2-1-4-8-17-9-5-3-6-10-17/h3,5-6,9-10,12-13,15-16H,1-2,4,7-8,11,14H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of mouse brain membrane KIAA1363 preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescen...				J Med Chem 57: 1079-89 (2014) Article DOI: 10.1021/jm401820q BindingDB Entry DOI: 10.7270/Q2HX1F5K
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50052790 (CHEMBL3318589) Show SMILES Cc1cnn(c1)C(=O)N1CCCCC1 Show InChI InChI=1S/C10H15N3O/c1-9-7-11-13(8-9)10(14)12-5-3-2-4-6-12/h7-8H,2-6H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50505179 (CHEMBL4462931) Show SMILES CN(CCN(C)C(=O)n1cccn1)Cc1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C22H26N4O2/c1-24(14-15-25(2)22(27)26-13-7-12-23-26)17-20-10-6-11-21(16-20)28-18-19-8-4-3-5-9-19/h3-13,16H,14-15,17-18H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50448896 (CHEMBL3125307) Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccc(CC#N)cn1 Show InChI InChI=1S/C23H23N3O2/c24-15-14-19-12-13-20(25-16-19)22-17-26-23(28-22)21(27)11-7-2-1-4-8-18-9-5-3-6-10-18/h3,5-6,9-10,12-13,16-17H,1-2,4,7-8,11,14H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of mouse brain membrane KIAA1363 preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescen...				J Med Chem 57: 1079-89 (2014) Article DOI: 10.1021/jm401820q BindingDB Entry DOI: 10.7270/Q2HX1F5K
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50448895 (CHEMBL3125310) Show SMILES COC(=N)Cc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1 Show InChI InChI=1S/C24H27N3O3/c1-29-23(25)15-19-13-14-20(26-16-19)22-17-27-24(30-22)21(28)12-8-3-2-5-9-18-10-6-4-7-11-18/h4,6-7,10-11,13-14,16-17,25H,2-3,5,8-9,12,15H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of mouse brain membrane KIAA1363 preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescen...				J Med Chem 57: 1079-89 (2014) Article DOI: 10.1021/jm401820q BindingDB Entry DOI: 10.7270/Q2HX1F5K
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50448894 (CHEMBL3125313) Show SMILES CCOS(=O)(=O)C=Cc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1 |w:6.5| Show InChI InChI=1S/C25H28N2O5S/c1-2-31-33(29,30)17-16-21-14-15-22(26-18-21)24-19-27-25(32-24)23(28)13-9-4-3-6-10-20-11-7-5-8-12-20/h5,7-8,11-12,14-19H,2-4,6,9-10,13H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of mouse brain membrane KIAA1363 preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescen...				J Med Chem 57: 1079-89 (2014) Article DOI: 10.1021/jm401820q BindingDB Entry DOI: 10.7270/Q2HX1F5K
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50448893 (CHEMBL3125287) Show SMILES CS(=O)(=O)C=Cc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1 |w:4.3| Show InChI InChI=1S/C24H26N2O4S/c1-31(28,29)16-15-20-13-14-21(25-17-20)23-18-26-24(30-23)22(27)12-8-3-2-5-9-19-10-6-4-7-11-19/h4,6-7,10-11,13-18H,2-3,5,8-9,12H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of mouse brain membrane KIAA1363 preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescen...				J Med Chem 57: 1079-89 (2014) Article DOI: 10.1021/jm401820q BindingDB Entry DOI: 10.7270/Q2HX1F5K
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50448892 (CHEMBL3125288) Show SMILES CS(=O)C=Cc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1 |w:3.2| Show InChI InChI=1S/C24H26N2O3S/c1-30(28)16-15-20-13-14-21(25-17-20)23-18-26-24(29-23)22(27)12-8-3-2-5-9-19-10-6-4-7-11-19/h4,6-7,10-11,13-18H,2-3,5,8-9,12H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of mouse brain membrane KIAA1363 preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescen...				J Med Chem 57: 1079-89 (2014) Article DOI: 10.1021/jm401820q BindingDB Entry DOI: 10.7270/Q2HX1F5K
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50012171 (CHEMBL3264474) Show SMILES O=C([C@@H]1COc2cc(Oc3ccccc3)ccc2C1)c1ncc(o1)-c1ccccn1 |r| Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-14-22(30-24)20-8-4-5-11-25-20)17-12-16-9-10-19(13-21(16)28-15-17)29-18-6-2-1-3-7-18/h1-11,13-14,17H,12,15H2/t17-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of mouse brain KIAA1363 incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE				Bioorg Med Chem 22: 2763-70 (2014) Article DOI: 10.1016/j.bmc.2014.03.013 BindingDB Entry DOI: 10.7270/Q2X92CVM
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50012169 (CHEMBL3264473) Show SMILES O=C([C@H]1COc2cc(Oc3ccccc3)ccc2C1)c1ncc(o1)-c1ccccn1 |r| Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-14-22(30-24)20-8-4-5-11-25-20)17-12-16-9-10-19(13-21(16)28-15-17)29-18-6-2-1-3-7-18/h1-11,13-14,17H,12,15H2/t17-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of mouse brain KIAA1363 incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE				Bioorg Med Chem 22: 2763-70 (2014) Article DOI: 10.1016/j.bmc.2014.03.013 BindingDB Entry DOI: 10.7270/Q2X92CVM
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50012157 (CHEMBL3264462) Show SMILES O=C(C1CCc2cc(Oc3ccccc3)ccc2O1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-15-22(30-24)19-8-4-5-13-25-19)21-11-9-16-14-18(10-12-20(16)29-21)28-17-6-2-1-3-7-17/h1-8,10,12-15,21H,9,11H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of mouse brain KIAA1363 incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE				Bioorg Med Chem 22: 2763-70 (2014) Article DOI: 10.1016/j.bmc.2014.03.013 BindingDB Entry DOI: 10.7270/Q2X92CVM
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50505197 (CHEMBL4555046) Show SMILES O=C(N1CCCN(Cc2ccc(OCc3ccccc3)cc2)CC1)n1cccn1 Show InChI InChI=1S/C23H26N4O2/c28-23(27-15-4-12-24-27)26-14-5-13-25(16-17-26)18-20-8-10-22(11-9-20)29-19-21-6-2-1-3-7-21/h1-4,6-12,15H,5,13-14,16-19H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50012157 (CHEMBL3264462) Show SMILES O=C(C1CCc2cc(Oc3ccccc3)ccc2O1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-15-22(30-24)19-8-4-5-13-25-19)21-11-9-16-14-18(10-12-20(16)29-21)28-17-6-2-1-3-7-17/h1-8,10,12-15,21H,9,11H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of mouse brain KIAA1363 incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE				Bioorg Med Chem 22: 2763-70 (2014) Article DOI: 10.1016/j.bmc.2014.03.013 BindingDB Entry DOI: 10.7270/Q2X92CVM
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50505200 (CHEMBL4446082) Show SMILES O=C(N1CCN(CC1)C(c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1)n1cccn1 Show InChI InChI=1S/C35H34N4O3/c40-35(39-21-7-20-36-39)38-24-22-37(23-25-38)34(30-12-16-32(17-13-30)41-26-28-8-3-1-4-9-28)31-14-18-33(19-15-31)42-27-29-10-5-2-6-11-29/h1-21,34H,22-27H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50505180 (CHEMBL4462665) Show SMILES O=C(N1CCCN(Cc2ccc(OCc3ccccc3)cc2)CC1)n1cc(cn1)C#N Show InChI InChI=1S/C24H25N5O2/c25-15-22-16-26-29(18-22)24(30)28-12-4-11-27(13-14-28)17-20-7-9-23(10-8-20)31-19-21-5-2-1-3-6-21/h1-3,5-10,16,18H,4,11-14,17,19H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50505187 (CHEMBL3318666) Show SMILES Cc1cnn(c1)C(=O)NCc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C19H19N3O2/c1-15-11-21-22(13-15)19(23)20-12-16-7-9-18(10-8-16)24-14-17-5-3-2-4-6-17/h2-11,13H,12,14H2,1H3,(H,20,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50505186 (CHEMBL3318665) Show SMILES O=C(NCc1ccc(OCc2ccccc2)cc1)n1cccn1 Show InChI InChI=1S/C18H17N3O2/c22-18(21-12-4-11-20-21)19-13-15-7-9-17(10-8-15)23-14-16-5-2-1-3-6-16/h1-12H,13-14H2,(H,19,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50505195 (CHEMBL3318667) Show SMILES O=C(NCc1ccc(OCc2ccccc2)cc1)n1cc(cn1)C#N Show InChI InChI=1S/C19H16N4O2/c20-10-17-12-22-23(13-17)19(24)21-11-15-6-8-18(9-7-15)25-14-16-4-2-1-3-5-16/h1-9,12-13H,11,14H2,(H,21,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50505182 (CHEMBL4449026) Show SMILES Cc1cnn(c1)C(=O)N1CCCN(Cc2ccc(OCc3ccccc3)cc2)CC1 Show InChI InChI=1S/C24H28N4O2/c1-20-16-25-28(17-20)24(29)27-13-5-12-26(14-15-27)18-21-8-10-23(11-9-21)30-19-22-6-3-2-4-7-22/h2-4,6-11,16-17H,5,12-15,18-19H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50505196 (CHEMBL4459440) Show SMILES CN(CCN(C)C(=O)n1cc(C)cn1)Cc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C23H28N4O2/c1-19-15-24-27(16-19)23(28)26(3)14-13-25(2)17-20-9-11-22(12-10-20)29-18-21-7-5-4-6-8-21/h4-12,15-16H,13-14,17-18H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50052781 (CHEMBL3318603) Show SMILES O=C(N1CCN(Cc2ccc3ccccc3c2)CC1)n1cccn1 Show InChI InChI=1S/C19H20N4O/c24-19(23-9-3-8-20-23)22-12-10-21(11-13-22)15-16-6-7-17-4-1-2-5-18(17)14-16/h1-9,14H,10-13,15H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50052766 (CHEMBL3318611) Show SMILES O=C(N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1)n1cccn1 Show InChI InChI=1S/C22H24N4O2/c27-22(26-12-4-11-23-26)25-15-13-24(14-16-25)17-19-7-9-21(10-8-19)28-18-20-5-2-1-3-6-20/h1-12H,13-18H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50505184 (CHEMBL4553954) Show SMILES CN(CCN(C)C(=O)n1cccn1)Cc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C22H26N4O2/c1-24(15-16-25(2)22(27)26-14-6-13-23-26)17-19-9-11-21(12-10-19)28-18-20-7-4-3-5-8-20/h3-14H,15-18H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50052783 (CHEMBL3318605) Show SMILES O=C(N1CCN(Cc2ccc3ccccc3c2)CC1)n1cc(cn1)C#N Show InChI InChI=1S/C20H19N5O/c21-12-17-13-22-25(15-17)20(26)24-9-7-23(8-10-24)14-16-5-6-18-3-1-2-4-19(18)11-16/h1-6,11,13,15H,7-10,14H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50052768 (CHEMBL3318613) Show SMILES O=C(N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1)n1cc(cn1)C#N Show InChI InChI=1S/C23H23N5O2/c24-14-21-15-25-28(17-21)23(29)27-12-10-26(11-13-27)16-19-6-8-22(9-7-19)30-18-20-4-2-1-3-5-20/h1-9,15,17H,10-13,16,18H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50505190 (CHEMBL4542355) Show SMILES CN(CCN(C)C(=O)n1cc(cn1)C#N)Cc1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C23H25N5O2/c1-26(11-12-27(2)23(29)28-17-21(14-24)15-25-28)16-20-9-6-10-22(13-20)30-18-19-7-4-3-5-8-19/h3-10,13,15,17H,11-12,16,18H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50505201 (CHEMBL4467076) Show SMILES Cc1cnn(c1)C(=O)NCc1ccc(OC(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H23N3O2/c1-19-16-27-28(18-19)25(29)26-17-20-12-14-23(15-13-20)30-24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-16,18,24H,17H2,1H3,(H,26,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50505191 (CHEMBL4460519) Show SMILES O=C(NCc1ccc(OC(c2ccccc2)c2ccccc2)cc1)n1cccn1 Show InChI InChI=1S/C24H21N3O2/c28-24(27-17-7-16-26-27)25-18-19-12-14-22(15-13-19)29-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-17,23H,18H2,(H,25,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50505193 (CHEMBL4588296) Show SMILES O=C(N1CCN(CC1)C(c1ccc2ccccc2c1)c1ccc2ccccc2c1)n1cccn1 Show InChI InChI=1S/C29H26N4O/c34-29(33-15-5-14-30-33)32-18-16-31(17-19-32)28(26-12-10-22-6-1-3-8-24(22)20-26)27-13-11-23-7-2-4-9-25(23)21-27/h1-15,20-21,28H,16-19H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50505181 (CHEMBL4559005) Show SMILES O=C(N1CCN(CC1)C(c1ccc2ccccc2c1)c1ccc2ccccc2c1)n1cc(cn1)C#N Show InChI InChI=1S/C30H25N5O/c31-19-22-20-32-35(21-22)30(36)34-15-13-33(14-16-34)29(27-11-9-23-5-1-3-7-25(23)17-27)28-12-10-24-6-2-4-8-26(24)18-28/h1-12,17-18,20-21,29H,13-16H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50505199 (CHEMBL4457878) Show SMILES Cc1cnn(c1)C(=O)N1CCN(CC1)C(c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C36H36N4O3/c1-28-24-37-40(25-28)36(41)39-22-20-38(21-23-39)35(31-12-16-33(17-13-31)42-26-29-8-4-2-5-9-29)32-14-18-34(19-15-32)43-27-30-10-6-3-7-11-30/h2-19,24-25,35H,20-23,26-27H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50505194 (CHEMBL4437989) Show SMILES O=C(N1CCN(CC1)C(c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1)n1cc(cn1)C#N Show InChI InChI=1S/C36H33N5O3/c37-23-30-24-38-41(25-30)36(42)40-21-19-39(20-22-40)35(31-11-15-33(16-12-31)43-26-28-7-3-1-4-8-28)32-13-17-34(18-14-32)44-27-29-9-5-2-6-10-29/h1-18,24-25,35H,19-22,26-27H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50052782 (CHEMBL3318604) Show SMILES Cc1cnn(c1)C(=O)N1CCN(Cc2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C20H22N4O/c1-16-13-21-24(14-16)20(25)23-10-8-22(9-11-23)15-17-6-7-18-4-2-3-5-19(18)12-17/h2-7,12-14H,8-11,15H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50505189 (CHEMBL4527008) Show SMILES CN(CCN(C)C(=O)n1cc(cn1)C#N)Cc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C23H25N5O2/c1-26(12-13-27(2)23(29)28-17-21(14-24)15-25-28)16-19-8-10-22(11-9-19)30-18-20-6-4-3-5-7-20/h3-11,15,17H,12-13,16,18H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50505192 (CHEMBL4584970) Show SMILES Cc1cnn(c1)C(=O)N1CCN(CC1)C(c1ccc2ccccc2c1)c1ccc2ccccc2c1 Show InChI InChI=1S/C30H28N4O/c1-22-20-31-34(21-22)30(35)33-16-14-32(15-17-33)29(27-12-10-23-6-2-4-8-25(23)18-27)28-13-11-24-7-3-5-9-26(24)19-28/h2-13,18-21,29H,14-17H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50052791 (CHEMBL3318588) Show SMILES O=C(N1CCCCC1)n1cccn1 Show InChI InChI=1S/C9H13N3O/c13-9(12-8-4-5-10-12)11-6-2-1-3-7-11/h4-5,8H,1-3,6-7H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50505198 (CHEMBL4532522) Show SMILES O=C(NCc1ccc(OC(c2ccccc2)c2ccccc2)cc1)n1cc(cn1)C#N Show InChI InChI=1S/C25H20N4O2/c26-15-20-17-28-29(18-20)25(30)27-16-19-11-13-23(14-12-19)31-24(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,17-18,24H,16H2,(H,27,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50052767 (CHEMBL3318612) Show SMILES Cc1cnn(c1)C(=O)N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 Show InChI InChI=1S/C23H26N4O2/c1-19-15-24-27(16-19)23(28)26-13-11-25(12-14-26)17-20-7-9-22(10-8-20)29-18-21-5-3-2-4-6-21/h2-10,15-16H,11-14,17-18H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50505188 (CHEMBL4581666) Show SMILES CN(CCN(C)C(=O)n1cc(C)cn1)Cc1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C23H28N4O2/c1-19-15-24-27(16-19)23(28)26(3)13-12-25(2)17-21-10-7-11-22(14-21)29-18-20-8-5-4-6-9-20/h4-11,14-16H,12-13,17-18H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50052760 (CHEMBL3318590) Show SMILES O=C(N1CCCCC1)n1cc(cn1)C#N Show InChI InChI=1S/C10H12N4O/c11-6-9-7-12-14(8-9)10(15)13-4-2-1-3-5-13/h7-8H,1-5H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50505183 (CHEMBL4524362) Show SMILES CN(CCN(C)C(=O)n1cc(cn1)C#N)C(c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C36H35N5O3/c1-39(21-22-40(2)36(42)41-25-30(23-37)24-38-41)35(31-13-17-33(18-14-31)43-26-28-9-5-3-6-10-28)32-15-19-34(20-16-32)44-27-29-11-7-4-8-12-29/h3-20,24-25,35H,21-22,26-27H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
					More data for this Ligand-Target Pair

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