Compile Data Set for Download or QSAR

Found 863 hits with Last Name = 'shackleford' and Initial = 'dm'   

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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50311010 (CHEMBL1078889 | N-(4-{2-[4-(1,1-Dioxo-1lambda*6*-t...) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)n1 Show InChI InChI=1S/C22H25N5O4S2/c1-32(28,29)26-20-8-4-18(5-9-20)21-10-11-23-22(25-21)24-19-6-2-17(3-7-19)16-27-12-14-33(30,31)15-13-27/h2-11,26H,12-16H2,1H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Cytopia Research Pty Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 kinase				Bioorg Med Chem Lett 19: 5887-92 (2009) Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50311001 (2-methoxy-4-(2-(4-morpholinophenylamino)pyrimidin-...) Show SMILES COc1cc(ccc1O)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C21H22N4O3/c1-27-20-14-15(2-7-19(20)26)18-8-9-22-21(24-18)23-16-3-5-17(6-4-16)25-10-12-28-13-11-25/h2-9,14,26H,10-13H2,1H3,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cytopia Research Pty Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 kinase				Bioorg Med Chem Lett 19: 5887-92 (2009) Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Mer (Homo sapiens (Human))	BDBM308131 (US9649309, Compound UNC2876A) Show SMILES CCCCNc1ncc(C(=O)NC2CCN(CC3CC3)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:24.25,wD:27.29,(-10.11,-3.85,;-8.77,-3.08,;-7.44,-3.85,;-6.1,-3.08,;-4.77,-3.85,;-3.44,-3.08,;-2.1,-3.85,;-.77,-3.08,;-.77,-1.54,;.56,-.77,;.56,.77,;1.9,-1.54,;3.23,-.77,;4.56,-1.54,;5.9,-.77,;5.9,.77,;7.23,1.54,;8.57,.77,;9.34,-.56,;10.11,.77,;4.56,1.54,;3.23,.77,;-2.1,-.77,;-2.1,.77,;-3.44,1.54,;-4.77,.77,;-6.1,1.54,;-6.1,3.08,;-7.44,3.85,;-4.77,3.85,;-3.44,3.08,;-3.44,-1.54,)| Show InChI InChI=1S/C24H40N6O2/c1-2-3-12-25-24-26-15-21(22(29-24)27-18-6-8-20(31)9-7-18)23(32)28-19-10-13-30(14-11-19)16-17-4-5-17/h15,17-20,31H,2-14,16H2,1H3,(H,28,32)(H2,25,26,27,29)/t18-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113822 BindingDB Entry DOI: 10.7270/Q2TX3KFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50311011 (CHEMBL1079077 | N-(4-(2-(4-morpholinophenylamino)p...) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C21H23N5O3S/c1-30(27,28)25-18-4-2-16(3-5-18)20-10-11-22-21(24-20)23-17-6-8-19(9-7-17)26-12-14-29-15-13-26/h2-11,25H,12-15H2,1H3,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Cytopia Research Pty Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 kinase				Bioorg Med Chem Lett 19: 5887-92 (2009) Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Mer (Homo sapiens (Human))	BDBM50602486 (CHEMBL5196154) Show SMILES CCCCNc1ncc(C(=O)NC2CCN(CCCF)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:24.24,wD:27.28,(26.44,-12.6,;27.77,-11.83,;29.1,-12.6,;30.44,-11.83,;31.77,-12.6,;33.11,-11.83,;34.44,-12.6,;35.78,-11.83,;35.77,-10.28,;37.1,-9.51,;37.1,-7.97,;38.44,-10.27,;39.77,-9.5,;41.1,-10.27,;42.43,-9.5,;42.43,-7.96,;43.77,-7.19,;45.1,-7.96,;46.43,-7.19,;47.77,-7.96,;41.1,-7.19,;39.76,-7.96,;34.44,-9.52,;34.43,-7.98,;33.1,-7.21,;31.77,-7.98,;30.43,-7.21,;30.43,-5.67,;29.1,-4.9,;31.77,-4.9,;33.1,-5.67,;33.11,-10.29,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113822 BindingDB Entry DOI: 10.7270/Q2TX3KFC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase Mer (Homo sapiens (Human))	BDBM50602485 (CHEMBL5171919) Show SMILES CCCCNc1ncc(C(=O)NC2CCN(CCF)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:23.23,wD:26.27,(2.87,-11.2,;4.2,-10.43,;5.54,-11.2,;6.87,-10.43,;8.2,-11.2,;9.54,-10.43,;10.87,-11.2,;12.21,-10.43,;12.2,-8.88,;13.54,-8.11,;13.53,-6.57,;14.87,-8.87,;16.2,-8.1,;17.54,-8.87,;18.86,-8.1,;18.87,-6.56,;20.2,-5.79,;21.53,-6.56,;22.87,-5.79,;17.53,-5.79,;16.19,-6.56,;10.87,-8.12,;10.86,-6.58,;9.53,-5.81,;8.2,-6.58,;6.87,-5.81,;6.86,-4.27,;5.53,-3.5,;8.2,-3.5,;9.53,-4.27,;9.54,-8.89,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113822 BindingDB Entry DOI: 10.7270/Q2TX3KFC
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527224 (CHEMBL4468833 | US10829446, Compound 48) Show SMILES COc1cc(cc(c1)-c1ccccn1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C19H16FN3O4S/c1-27-15-11-13(17-7-4-5-9-21-17)10-14(12-15)19(24)22-23-28(25,26)18-8-3-2-6-16(18)20/h2-12,23H,1H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Cytopia Research Pty Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK3 kinase				Bioorg Med Chem Lett 19: 5887-92 (2009) Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527244 (CHEMBL4437798 | US10829446, Compound 105) Show SMILES Fc1ccccc1S(=O)(=O)NNC(=O)c1cc(Cl)cc(c1)-c1ccco1 Show InChI InChI=1S/C17H12ClFN2O4S/c18-13-9-11(15-5-3-7-25-15)8-12(10-13)17(22)20-21-26(23,24)16-6-2-1-4-14(16)19/h1-10,21H,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50311012 (CHEMBL1079078 | N-(4-(2-(4-(4-hydroxypiperidin-1-y...) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(O)CC2)n1 Show InChI InChI=1S/C22H25N5O3S/c1-31(29,30)26-18-4-2-16(3-5-18)21-10-13-23-22(25-21)24-17-6-8-19(9-7-17)27-14-11-20(28)12-15-27/h2-10,13,20,26,28H,11-12,14-15H2,1H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Cytopia Research Pty Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 kinase				Bioorg Med Chem Lett 19: 5887-92 (2009) Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50311002 (CHEMBL1078275 | N-(4-(2-(3-(pyrrolidin-1-ylmethyl)...) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(CN3CCCC3)c2)n1 Show InChI InChI=1S/C22H25N5O2S/c1-30(28,29)26-19-9-7-18(8-10-19)21-11-12-23-22(25-21)24-20-6-4-5-17(15-20)16-27-13-2-3-14-27/h4-12,15,26H,2-3,13-14,16H2,1H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Cytopia Research Pty Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 kinase				Bioorg Med Chem Lett 19: 5887-92 (2009) Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527381 (CHEMBL4466823 | US10829446, Compound 41) Show SMILES Fc1ccccc1S(=O)(=O)NNC(=O)c1cccc(c1)-c1ccccn1 Show InChI InChI=1S/C18H14FN3O3S/c19-15-8-1-2-10-17(15)26(24,25)22-21-18(23)14-7-5-6-13(12-14)16-9-3-4-11-20-16/h1-12,22H,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527355 (CHEMBL4456585 | US10829446, Compound 46) Show SMILES Fc1cc(cc(c1)-c1ccccn1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C18H13F2N3O3S/c19-14-10-12(16-6-3-4-8-21-16)9-13(11-14)18(24)22-23-27(25,26)17-7-2-1-5-15(17)20/h1-11,23H,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527250 (CHEMBL4475883 | US10829446, Compound 67) Show SMILES Cc1ccn(n1)-c1cc(C)cc(c1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C18H17FN4O3S/c1-12-9-14(11-15(10-12)23-8-7-13(2)21-23)18(24)20-22-27(25,26)17-6-4-3-5-16(17)19/h3-11,22H,1-2H3,(H,20,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50311004 (CHEMBL1078277 | N-(4-(2-(3-(morpholinomethyl)pheny...) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(CN3CCOCC3)c2)n1 Show InChI InChI=1S/C22H25N5O3S/c1-31(28,29)26-19-7-5-18(6-8-19)21-9-10-23-22(25-21)24-20-4-2-3-17(15-20)16-27-11-13-30-14-12-27/h2-10,15,26H,11-14,16H2,1H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Cytopia Research Pty Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 kinase				Bioorg Med Chem Lett 19: 5887-92 (2009) Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50311022 (CHEMBL1078005 | N-(cyanomethyl)-4-(5-methyl-2-(4-m...) Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1ccc(cc1)C(=O)NCC#N Show InChI InChI=1S/C24H24N6O2/c1-17-16-27-24(28-20-6-8-21(9-7-20)30-12-14-32-15-13-30)29-22(17)18-2-4-19(5-3-18)23(31)26-11-10-25/h2-9,16H,11-15H2,1H3,(H,26,31)(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Cytopia Research Pty Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 kinase				Bioorg Med Chem Lett 19: 5887-92 (2009) Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527238 (CHEMBL4539384 | US10829446, Compound 42) Show SMILES Cc1cc(cc(c1)-c1ccccn1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C19H16FN3O3S/c1-13-10-14(17-7-4-5-9-21-17)12-15(11-13)19(24)22-23-27(25,26)18-8-3-2-6-16(18)20/h2-12,23H,1H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50311019 (CHEMBL1078364 | N-(cyanomethyl)-2-methoxy-4-(2-(4-...) Show SMILES COc1cc(ccc1C(=O)NCC#N)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C24H24N6O3/c1-32-22-16-17(2-7-20(22)23(31)26-11-9-25)21-8-10-27-24(29-21)28-18-3-5-19(6-4-18)30-12-14-33-15-13-30/h2-8,10,16H,11-15H2,1H3,(H,26,31)(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Cytopia Research Pty Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK3 kinase				Bioorg Med Chem Lett 19: 5887-92 (2009) Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50311006 (CHEMBL1078689 | N-(4-(2-(4-(morpholinomethyl)pheny...) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(CN3CCOCC3)cc2)n1 Show InChI InChI=1S/C22H25N5O3S/c1-31(28,29)26-20-8-4-18(5-9-20)21-10-11-23-22(25-21)24-19-6-2-17(3-7-19)16-27-12-14-30-15-13-27/h2-11,26H,12-16H2,1H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Cytopia Research Pty Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 kinase				Bioorg Med Chem Lett 19: 5887-92 (2009) Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527245 (CHEMBL4521125 | US10829446, Compound 89) Show SMILES Fc1cc(cc(c1)-n1nccn1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C15H11F2N5O3S/c16-11-7-10(8-12(9-11)22-18-5-6-19-22)15(23)20-21-26(24,25)14-4-2-1-3-13(14)17/h1-9,21H,(H,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527328 (CHEMBL4441439 | US10829446, Compound 49) Show SMILES Cc1cc(cc(c1)-c1ncccn1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C18H15FN4O3S/c1-12-9-13(17-20-7-4-8-21-17)11-14(10-12)18(24)22-23-27(25,26)16-6-3-2-5-15(16)19/h2-11,23H,1H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527225 (CHEMBL4565790 | US10829446, Compound 101) Show SMILES Fc1cc(cc(c1)-c1ccco1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C17H12F2N2O4S/c18-13-9-11(15-5-3-7-25-15)8-12(10-13)17(22)20-21-26(23,24)16-6-2-1-4-14(16)19/h1-10,21H,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50311016 (2-cyano-N-(4-(2-(4-morpholinophenylamino)pyrimidin...) Show SMILES O=C(CC#N)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-11-9-22(30)26-18-3-1-17(2-4-18)21-10-12-25-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-8,10,12H,9,13-16H2,(H,26,30)(H,25,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Cytopia Research Pty Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 kinase				Bioorg Med Chem Lett 19: 5887-92 (2009) Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527243 (CHEMBL4458272 | US10829446, Compound 153) Show SMILES Cc1cc(cc(c1)-c1ccco1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C18H15FN2O4S/c1-12-9-13(16-6-4-8-25-16)11-14(10-12)18(22)20-21-26(23,24)17-7-3-2-5-15(17)19/h2-11,21H,1H3,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50311003 (CHEMBL1078276 | N-(4-(2-(4-(piperidin-1-ylmethyl)p...) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(CN3CCCCC3)cc2)n1 Show InChI InChI=1S/C23H27N5O2S/c1-31(29,30)27-21-11-7-19(8-12-21)22-13-14-24-23(26-22)25-20-9-5-18(6-10-20)17-28-15-3-2-4-16-28/h5-14,27H,2-4,15-17H2,1H3,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Cytopia Research Pty Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 kinase				Bioorg Med Chem Lett 19: 5887-92 (2009) Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50311017 (CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...) Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Cytopia Research Pty Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK1				Bioorg Med Chem Lett 19: 5887-92 (2009) Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50311005 (CHEMBL1078688 | N-(4-(2-(3-((4-hydroxypiperidin-1-...) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(CN3CCC(O)CC3)c2)n1 Show InChI InChI=1S/C23H27N5O3S/c1-32(30,31)27-19-7-5-18(6-8-19)22-9-12-24-23(26-22)25-20-4-2-3-17(15-20)16-28-13-10-21(29)11-14-28/h2-9,12,15,21,27,29H,10-11,13-14,16H2,1H3,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Cytopia Research Pty Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 kinase				Bioorg Med Chem Lett 19: 5887-92 (2009) Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527263 (CHEMBL4465716 | US10829446, Compound 63) Show SMILES COc1cc(cc(c1)-n1cccn1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C17H15FN4O4S/c1-26-14-10-12(9-13(11-14)22-8-4-7-19-22)17(23)20-21-27(24,25)16-6-3-2-5-15(16)18/h2-11,21H,1H3,(H,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527246 (CHEMBL4445473 | US10829446, Compound 84) Show SMILES Cc1ccnn1-c1cc(C)cc(c1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C18H17FN4O3S/c1-12-9-14(11-15(10-12)23-13(2)7-8-20-23)18(24)21-22-27(25,26)17-6-4-3-5-16(17)19/h3-11,22H,1-2H3,(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US11739089, Compound Ketoconazole | US8987315, Ket...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as testosterone 6beta-hydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysis				Bioorg Med Chem 26: 2996-3005 (2018) Article DOI: 10.1016/j.bmc.2018.05.006 BindingDB Entry DOI: 10.7270/Q2K076SB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50311008 (CHEMBL1078866 | N-(4-(2-(3-((4-methylpiperazin-1-y...) Show SMILES CN1CCN(Cc2cccc(Nc3nccc(n3)-c3ccc(NS(C)(=O)=O)cc3)c2)CC1 Show InChI InChI=1S/C23H28N6O2S/c1-28-12-14-29(15-13-28)17-18-4-3-5-21(16-18)25-23-24-11-10-22(26-23)19-6-8-20(9-7-19)27-32(2,30)31/h3-11,16,27H,12-15,17H2,1-2H3,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Cytopia Research Pty Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 kinase				Bioorg Med Chem Lett 19: 5887-92 (2009) Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527235 (CHEMBL4516984 | US10829446, Compound 52) Show SMILES Fc1cc(cc(c1)-c1ncccn1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C17H12F2N4O3S/c18-13-9-11(16-20-6-3-7-21-16)8-12(10-13)17(24)22-23-27(25,26)15-5-2-1-4-14(15)19/h1-10,23H,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527240 (CHEMBL4541948 | US10829446, Compound 124) Show SMILES Fc1ccccc1S(=O)(=O)NNC(=O)c1cccc(c1)-c1ccsc1 Show InChI InChI=1S/C17H13FN2O3S2/c18-15-6-1-2-7-16(15)25(22,23)20-19-17(21)13-5-3-4-12(10-13)14-8-9-24-11-14/h1-11,20H,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527232 (CHEMBL4436877 | US10829446, Compound 78) Show SMILES Cc1cnn(c1)-c1cc(C)cc(c1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C18H17FN4O3S/c1-12-7-14(9-15(8-12)23-11-13(2)10-20-23)18(24)21-22-27(25,26)17-6-4-3-5-16(17)19/h3-11,22H,1-2H3,(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527366 (CHEMBL4449163 | US10829446, Compound 139) Show SMILES CC(C)Oc1cc(C)cc(c1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C17H19FN2O4S/c1-11(2)24-14-9-12(3)8-13(10-14)17(21)19-20-25(22,23)16-7-5-4-6-15(16)18/h4-11,20H,1-3H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50311000 (4-(4-amino-3-methoxyphenyl)-N-(4-morpholinophenyl)...) Show SMILES COc1cc(ccc1N)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C21H23N5O2/c1-27-20-14-15(2-7-18(20)22)19-8-9-23-21(25-19)24-16-3-5-17(6-4-16)26-10-12-28-13-11-26/h2-9,14H,10-13,22H2,1H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Cytopia Research Pty Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 kinase				Bioorg Med Chem Lett 19: 5887-92 (2009) Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527382 (CHEMBL4518462 | US10829446, Compound 145) Show SMILES Cc1cc(OCC=C)cc(c1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C17H17FN2O4S/c1-3-8-24-14-10-12(2)9-13(11-14)17(21)19-20-25(22,23)16-7-5-4-6-15(16)18/h3-7,9-11,20H,1,8H2,2H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527313 (CHEMBL4446917 | US10829446, Compound 137) Show SMILES CCOc1cc(C)cc(c1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C16H17FN2O4S/c1-3-23-13-9-11(2)8-12(10-13)16(20)18-19-24(21,22)15-7-5-4-6-14(15)17/h4-10,19H,3H2,1-2H3,(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50311007 (CHEMBL1078767 | N-(4-(2-(4-((4-hydroxypiperidin-1-...) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(CN3CCC(O)CC3)cc2)n1 Show InChI InChI=1S/C23H27N5O3S/c1-32(30,31)27-20-8-4-18(5-9-20)22-10-13-24-23(26-22)25-19-6-2-17(3-7-19)16-28-14-11-21(29)12-15-28/h2-10,13,21,27,29H,11-12,14-16H2,1H3,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Cytopia Research Pty Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 kinase				Bioorg Med Chem Lett 19: 5887-92 (2009) Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527302 (CHEMBL4573736 | US10829446, Compound 146) Show SMILES CC(=C)COc1cc(C)c(F)c(c1)C(=O)NNS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H19FN2O4S/c1-12(2)11-25-14-9-13(3)17(19)16(10-14)18(22)20-21-26(23,24)15-7-5-4-6-8-15/h4-10,21H,1,11H2,2-3H3,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527277 (CHEMBL4593500) Show SMILES Fc1ccccc1S(=O)(=O)NNC(=O)c1cc(Cl)cc(c1F)-c1ccccc1 Show InChI InChI=1S/C19H13ClF2N2O3S/c20-13-10-14(12-6-2-1-3-7-12)18(22)15(11-13)19(25)23-24-28(26,27)17-9-5-4-8-16(17)21/h1-11,24H,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Rattus norvegicus (rat))	BDBM50018011 (Aubagio | CHEBI:68540 | HMR-1726 | TERIFLUNOMIDE) Show SMILES C\C(O)=C(/C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged rat DHODH expressed in Escherichia coli BL21(DE3) cells using L-DHO as substrate by DCIP dye based assay				J Med Chem 63: 4929-4956 (2020) Article DOI: 10.1021/acs.jmedchem.0c00311 BindingDB Entry DOI: 10.7270/Q2M90D6Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527251 (CHEMBL4588945 | US10829446, Compound 66) Show SMILES Cc1ccn(n1)-c1cccc(c1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C17H15FN4O3S/c1-12-9-10-22(20-12)14-6-4-5-13(11-14)17(23)19-21-26(24,25)16-8-3-2-7-15(16)18/h2-11,21H,1H3,(H,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527346 (CHEMBL4566403 | US10829446, Compound 88) Show SMILES Cc1cc(cc(c1)-n1nccn1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C16H14FN5O3S/c1-11-8-12(10-13(9-11)22-18-6-7-19-22)16(23)20-21-26(24,25)15-5-3-2-4-14(15)17/h2-10,21H,1H3,(H,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50311009 (CHEMBL1078971 | N-(4-(2-(4-((4-methylpiperazin-1-y...) Show SMILES CN1CCN(Cc2ccc(Nc3nccc(n3)-c3ccc(NS(C)(=O)=O)cc3)cc2)CC1 Show InChI InChI=1S/C23H28N6O2S/c1-28-13-15-29(16-14-28)17-18-3-7-20(8-4-18)25-23-24-12-11-22(26-23)19-5-9-21(10-6-19)27-32(2,30)31/h3-12,27H,13-17H2,1-2H3,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Cytopia Research Pty Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 kinase				Bioorg Med Chem Lett 19: 5887-92 (2009) Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50311017 (CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...) Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Cytopia Research Pty Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 kinase				Bioorg Med Chem Lett 19: 5887-92 (2009) Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527365 (CHEMBL4455027 | US10829446, Compound 91) Show SMILES Fc1cc(OCC=C)cc(c1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C16H14F2N2O4S/c1-2-7-24-13-9-11(8-12(17)10-13)16(21)19-20-25(22,23)15-6-4-3-5-14(15)18/h2-6,8-10,20H,1,7H2,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527358 (CHEMBL4572653 | US10829446, Compound 135) Show SMILES Fc1ccccc1S(=O)(=O)NNC(=O)c1cccc(c1)-c1ccco1 Show InChI InChI=1S/C17H13FN2O4S/c18-14-7-1-2-9-16(14)25(22,23)20-19-17(21)13-6-3-5-12(11-13)15-8-4-10-24-15/h1-11,20H,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US11739089, Compound Ketoconazole | US8987315, Ket...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as midazolam 1'-hydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysis				Bioorg Med Chem 26: 2996-3005 (2018) Article DOI: 10.1016/j.bmc.2018.05.006 BindingDB Entry DOI: 10.7270/Q2K076SB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527221 (CHEMBL4464911 | US10829446, Compound 64) Show SMILES Fc1cc(cc(c1)-n1cccn1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C16H12F2N4O3S/c17-12-8-11(9-13(10-12)22-7-3-6-19-22)16(23)20-21-26(24,25)15-5-2-1-4-14(15)18/h1-10,21H,(H,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair

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