Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Arylacetamide deacetylase' AND taxid = 9606   

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
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))	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
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