Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50030712   

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
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50247839 (CHEMBL447612 | methyl 3-(5-chloro-3-oxoisothiazol-...) Show SMILES COC(=O)CCn1sc(Cl)cc1=O Show InChI InChI=1S/C7H8ClNO3S/c1-12-7(11)2-3-9-6(10)4-5(8)13-9/h4H,2-3H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay				Eur J Med Chem 44: 4855-61 (2009) Article DOI: 10.1016/j.ejmech.2009.07.025 BindingDB Entry DOI: 10.7270/Q2XD11RS
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50300427 (4,5-Dichloro-2-ethylisothiazol-3(2H)-one | CHEMBL5...) Show SMILES CCn1sc(Cl)c(Cl)c1=O Show InChI InChI=1S/C5H5Cl2NOS/c1-2-8-5(9)3(6)4(7)10-8/h2H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay				Eur J Med Chem 44: 4855-61 (2009) Article DOI: 10.1016/j.ejmech.2009.07.025 BindingDB Entry DOI: 10.7270/Q2XD11RS
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50300425 (CHEMBL573028 | Methyl 3-(4,5-dichloro-3-oxoisothia...) Show SMILES COC(=O)CCn1sc(Cl)c(Cl)c1=O Show InChI InChI=1S/C7H7Cl2NO3S/c1-13-4(11)2-3-10-7(12)5(8)6(9)14-10/h2-3H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay				Eur J Med Chem 44: 4855-61 (2009) Article DOI: 10.1016/j.ejmech.2009.07.025 BindingDB Entry DOI: 10.7270/Q2XD11RS
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50247820 (5-Chloro-2-ethylisothiazol-3(2H)-one | CHEMBL46147...) Show SMILES CCn1sc(Cl)cc1=O Show InChI InChI=1S/C5H6ClNOS/c1-2-7-5(8)3-4(6)9-7/h3H,2H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay				Eur J Med Chem 44: 4855-61 (2009) Article DOI: 10.1016/j.ejmech.2009.07.025 BindingDB Entry DOI: 10.7270/Q2XD11RS
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50247869 (CHEMBL509992 | methyl 3-(5-chloro-1-oxido-3-oxoiso...) Show SMILES COC(=O)CCn1c(=O)cc(Cl)s1=O Show InChI InChI=1S/C7H8ClNO4S/c1-13-7(11)2-3-9-6(10)4-5(8)14(9)12/h4H,2-3H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay				Eur J Med Chem 44: 4855-61 (2009) Article DOI: 10.1016/j.ejmech.2009.07.025 BindingDB Entry DOI: 10.7270/Q2XD11RS
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50300421 (5-Chloro-2-ethyl-4-methylisothiazol-3(2H)-one-1-ox...) Show SMILES CCn1c(=O)c(C)c(Cl)s1=O Show InChI InChI=1S/C6H8ClNO2S/c1-3-8-6(9)4(2)5(7)11(8)10/h3H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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 Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay				Eur J Med Chem 44: 4855-61 (2009) Article DOI: 10.1016/j.ejmech.2009.07.025 BindingDB Entry DOI: 10.7270/Q2XD11RS
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50300422 (4,5-Dichloro-2-ethylisothiazol-3(2H)-one-1-oxide |...) Show SMILES CCn1c(=O)c(Cl)c(Cl)s1=O Show InChI InChI=1S/C5H5Cl2NO2S/c1-2-8-5(9)3(6)4(7)11(8)10/h2H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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 Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay				Eur J Med Chem 44: 4855-61 (2009) Article DOI: 10.1016/j.ejmech.2009.07.025 BindingDB Entry DOI: 10.7270/Q2XD11RS
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50300423 (5-Chloro-2-ethylisothiazol-3(2H)-one-1-oxide | CHE...) Show SMILES CCn1c(=O)cc(Cl)s1=O Show InChI InChI=1S/C5H6ClNO2S/c1-2-7-5(8)3-4(6)10(7)9/h3H,2H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid 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 Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay				Eur J Med Chem 44: 4855-61 (2009) Article DOI: 10.1016/j.ejmech.2009.07.025 BindingDB Entry DOI: 10.7270/Q2XD11RS
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50300424 (CHEMBL572965 | Methyl 3-(5-chloro-4-methyl-3-oxois...) Show SMILES COC(=O)CCn1sc(Cl)c(C)c1=O Show InChI InChI=1S/C8H10ClNO3S/c1-5-7(9)14-10(8(5)12)4-3-6(11)13-2/h3-4H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid 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 Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay				Eur J Med Chem 44: 4855-61 (2009) Article DOI: 10.1016/j.ejmech.2009.07.025 BindingDB Entry DOI: 10.7270/Q2XD11RS
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50300426 (5-Chloro-2-ethyl-4-methylisothiazol-3(2H)-one | CH...) Show SMILES CCn1sc(Cl)c(C)c1=O Show InChI InChI=1S/C6H8ClNOS/c1-3-8-6(9)4(2)5(7)10-8/h3H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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 Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay				Eur J Med Chem 44: 4855-61 (2009) Article DOI: 10.1016/j.ejmech.2009.07.025 BindingDB Entry DOI: 10.7270/Q2XD11RS
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50300420 (CHEMBL573610 | Methyl 3-(4,5-dichloro-1-oxido-3-ox...) Show SMILES COC(=O)CCn1c(=O)c(Cl)c(Cl)s1=O Show InChI InChI=1S/C7H7Cl2NO4S/c1-14-4(11)2-3-10-7(12)5(8)6(9)15(10)13/h2-3H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid 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 Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay				Eur J Med Chem 44: 4855-61 (2009) Article DOI: 10.1016/j.ejmech.2009.07.025 BindingDB Entry DOI: 10.7270/Q2XD11RS
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50300419 (CHEMBL572957 | Methyl 3-(5-chloro-4-methyl-1-oxido...) Show SMILES COC(=O)CCn1c(=O)c(C)c(Cl)s1=O Show InChI InChI=1S/C8H10ClNO4S/c1-5-7(9)15(13)10(8(5)12)4-3-6(11)14-2/h3-4H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid 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 Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay				Eur J Med Chem 44: 4855-61 (2009) Article DOI: 10.1016/j.ejmech.2009.07.025 BindingDB Entry DOI: 10.7270/Q2XD11RS
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50300418 (2-Tert-butyl-5-chloroisothiazol-3(2H)-one 1-oxide ...) Show SMILES CC(C)(C)n1c(=O)cc(Cl)s1=O Show InChI InChI=1S/C7H10ClNO2S/c1-7(2,3)9-6(10)4-5(8)12(9)11/h4H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid 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 Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay				Eur J Med Chem 44: 4855-61 (2009) Article DOI: 10.1016/j.ejmech.2009.07.025 BindingDB Entry DOI: 10.7270/Q2XD11RS
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50300417 (2-Tert-butyl-5-(dodecylthio)isothiazol-3(2H)-one-1...) Show SMILES CCCCCCCCCCCCSc1cc(=O)n(s1=O)C(C)(C)C Show InChI InChI=1S/C19H35NO2S2/c1-5-6-7-8-9-10-11-12-13-14-15-23-18-16-17(21)20(24(18)22)19(2,3)4/h16H,5-15H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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 Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay				Eur J Med Chem 44: 4855-61 (2009) Article DOI: 10.1016/j.ejmech.2009.07.025 BindingDB Entry DOI: 10.7270/Q2XD11RS
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50300415 (CHEMBL575673 | Methyl 3-[4-chloro-5-(dodecylthio)-...) Show SMILES CCCCCCCCCCCCSc1c(Cl)c(=O)n(CCC(=O)OC)s1=O Show InChI InChI=1S/C19H32ClNO4S2/c1-3-4-5-6-7-8-9-10-11-12-15-26-19-17(20)18(23)21(27(19)24)14-13-16(22)25-2/h3-15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid 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 Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay				Eur J Med Chem 44: 4855-61 (2009) Article DOI: 10.1016/j.ejmech.2009.07.025 BindingDB Entry DOI: 10.7270/Q2XD11RS
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50300416 (CHEMBL574815 | Methyl 3-[5-(dodecylthio)-1-oxido-3...) Show SMILES CCCCCCCCCCCCSc1cc(=O)n(CCC(=O)OC)s1=O Show InChI InChI=1S/C19H33NO4S2/c1-3-4-5-6-7-8-9-10-11-12-15-25-19-16-17(21)20(26(19)23)14-13-18(22)24-2/h16H,3-15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid 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 Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay				Eur J Med Chem 44: 4855-61 (2009) Article DOI: 10.1016/j.ejmech.2009.07.025 BindingDB Entry DOI: 10.7270/Q2XD11RS
					More data for this Ligand-Target Pair