Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50049128   

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))	BDBM50234932 (CHEMBL4103402 | US10239861, Example 20) Show SMILES CC(C)C[C@H]1C[C@H](CN(C)C1)Nc1cnn(C)c(=O)c1Cl |r| Show InChI InChI=1S/C15H25ClN4O/c1-10(2)5-11-6-12(9-19(3)8-11)18-13-7-17-20(4)15(21)14(13)16/h7,10-12,18H,5-6,8-9H2,1-4H3/t11-,12+/m0/s1	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	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of biotinylated small molecule ligand from His/FLAG-tagged PCAF bromodomain (719 to 832 residues) (unknown origin) after 15 mins by Alph...				J Med Chem 60: 695-709 (2017) Article DOI: 10.1021/acs.jmedchem.6b01566 BindingDB Entry DOI: 10.7270/Q2W09863
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM311486 (CHEM-US-00192 | US10155764, Example 65B) Show SMILES C[C@@H](Nc1nn(C)c(=O)c2cccnc12)[C@H](N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C19H23N5O/c1-13(17(23(2)3)14-9-6-5-7-10-14)21-18-16-15(11-8-12-20-16)19(25)24(4)22-18/h5-13,17H,1-4H3,(H,21,22)/t13-,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of biotinylated small molecule ligand from His/FLAG-tagged PCAF bromodomain (719 to 832 residues) (unknown origin) after 15 mins by Alph...				J Med Chem 60: 695-709 (2017) Article DOI: 10.1021/acs.jmedchem.6b01566 BindingDB Entry DOI: 10.7270/Q2W09863
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50234931 (CHEMBL4088595) Show SMILES C[C@H](Nc1nn(C)c(=O)n(C)c1=O)[C@@H](N(C)C)c1ccc(cc1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H27N5O4S/c1-15(23-20-21(28)26(4)22(29)27(5)24-20)19(25(2)3)16-11-13-18(14-12-16)32(30,31)17-9-7-6-8-10-17/h6-15,19H,1-5H3,(H,23,24)/t15-,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of biotinylated small molecule ligand from His/FLAG-tagged PCAF bromodomain (719 to 832 residues) (unknown origin) after 15 mins by Alph...				J Med Chem 60: 695-709 (2017) Article DOI: 10.1021/acs.jmedchem.6b01566 BindingDB Entry DOI: 10.7270/Q2W09863
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50234930 (CHEMBL4070058) Show SMILES NCCCNCc1ccc(NCCCN)[n+]([O-])c1 Show InChI InChI=1S/C12H23N5O/c13-5-1-7-15-9-11-3-4-12(17(18)10-11)16-8-2-6-14/h3-4,10,15-16H,1-2,5-9,13-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of biotinylated small molecule ligand from His/FLAG-tagged PCAF bromodomain (719 to 832 residues) (unknown origin) after 15 mins by Alph...				J Med Chem 60: 695-709 (2017) Article DOI: 10.1021/acs.jmedchem.6b01566 BindingDB Entry DOI: 10.7270/Q2W09863
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50398244 (CHEMBL609728) Show SMILES Cc1ccc(NCCCN)c(c1)[N+]([O-])=O Show InChI InChI=1S/C10H15N3O2/c1-8-3-4-9(12-6-2-5-11)10(7-8)13(14)15/h3-4,7,12H,2,5-6,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of biotinylated small molecule ligand from His/FLAG-tagged PCAF bromodomain (719 to 832 residues) (unknown origin) after 15 mins by Alph...				J Med Chem 60: 695-709 (2017) Article DOI: 10.1021/acs.jmedchem.6b01566 BindingDB Entry DOI: 10.7270/Q2W09863
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM152260 (US8993552, 1F4 Compound 44) Show SMILES Cc1nn(nc1C(N)=O)-c1ccccc1 Show InChI InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	2.50E+5	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of biotinylated small molecule ligand from His/FLAG-tagged PCAF bromodomain (719 to 832 residues) (unknown origin) after 15 mins by Alph...				J Med Chem 60: 695-709 (2017) Article DOI: 10.1021/acs.jmedchem.6b01566 BindingDB Entry DOI: 10.7270/Q2W09863
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50150068 (CHEMBL3775323) Show SMILES CNC(=O)c1cc(OCC(=O)Nc2ccccc2)ccc1OC1CCOCC1 Show InChI InChI=1S/C21H24N2O5/c1-22-21(25)18-13-17(7-8-19(18)28-16-9-11-26-12-10-16)27-14-20(24)23-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of biotinylated small molecule ligand from His/FLAG-tagged PCAF bromodomain (719 to 832 residues) (unknown origin) after 15 mins by Alph...				J Med Chem 60: 695-709 (2017) Article DOI: 10.1021/acs.jmedchem.6b01566 BindingDB Entry DOI: 10.7270/Q2W09863
					More data for this Ligand-Target Pair				3D Structure (crystal)