Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'brenton' and Initial = 'jd'   

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
Transcription activator BRG1 (Homo sapiens (Human))	BDBM50184973 (CHEMBL3822828) Show SMILES O=c1nc2\C(CCn2c2ccccc12)=C\N1CCCCC1 Show InChI InChI=1S/C17H19N3O/c21-17-14-6-2-3-7-15(14)20-11-8-13(16(20)18-17)12-19-9-4-1-5-10-19/h2-3,6-7,12H,1,4-5,8-11H2/b13-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...				J Med Chem 59: 5095-101 (2016) Article DOI: 10.1021/acs.jmedchem.5b01997 BindingDB Entry DOI: 10.7270/Q22R3TKH
					More data for this Ligand-Target Pair
Transcription activator BRG1 (Homo sapiens (Human))	BDBM50184975 (CHEMBL3823214) Show SMILES CCN1CCN(CC1)\C=C1/CCn2c1nc(=O)c1ccccc21 Show InChI InChI=1S/C18H22N4O/c1-2-20-9-11-21(12-10-20)13-14-7-8-22-16-6-4-3-5-15(16)18(23)19-17(14)22/h3-6,13H,2,7-12H2,1H3/b14-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...				J Med Chem 59: 5095-101 (2016) Article DOI: 10.1021/acs.jmedchem.5b01997 BindingDB Entry DOI: 10.7270/Q22R3TKH
					More data for this Ligand-Target Pair
Transcription activator BRG1 (Homo sapiens (Human))	BDBM50184974 (CHEMBL3823057) Show SMILES CN1CCN(CC1)\C=C1/CCn2c1nc(=O)c1ccccc21 Show InChI InChI=1S/C17H20N4O/c1-19-8-10-20(11-9-19)12-13-6-7-21-15-5-3-2-4-14(15)17(22)18-16(13)21/h2-5,12H,6-11H2,1H3/b13-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...				J Med Chem 59: 5095-101 (2016) Article DOI: 10.1021/acs.jmedchem.5b01997 BindingDB Entry DOI: 10.7270/Q22R3TKH
					More data for this Ligand-Target Pair
Transcription activator BRG1 (Homo sapiens (Human))	BDBM50184972 (CHEMBL3823525) Show SMILES O=c1nc2\C(CCn2c2ccccc12)=C\N1CCCC1 Show InChI InChI=1S/C16H17N3O/c20-16-13-5-1-2-6-14(13)19-10-7-12(15(19)17-16)11-18-8-3-4-9-18/h1-2,5-6,11H,3-4,7-10H2/b12-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...				J Med Chem 59: 5095-101 (2016) Article DOI: 10.1021/acs.jmedchem.5b01997 BindingDB Entry DOI: 10.7270/Q22R3TKH
					More data for this Ligand-Target Pair
Transcription activator BRG1 (Homo sapiens (Human))	BDBM50184971 (CHEMBL3823210) Show SMILES CN(C)\C=C1/CCn2c1nc(=O)c1ccccc21 Show InChI InChI=1S/C14H15N3O/c1-16(2)9-10-7-8-17-12-6-4-3-5-11(12)14(18)15-13(10)17/h3-6,9H,7-8H2,1-2H3/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...				J Med Chem 59: 5095-101 (2016) Article DOI: 10.1021/acs.jmedchem.5b01997 BindingDB Entry DOI: 10.7270/Q22R3TKH
					More data for this Ligand-Target Pair
Transcription activator BRG1 (Homo sapiens (Human))	BDBM50184976 (CHEMBL3823365) Show SMILES CN1CCCN(CC1)\C=C1/CCn2c1nc(=O)c1ccccc21 Show InChI InChI=1S/C18H22N4O/c1-20-8-4-9-21(12-11-20)13-14-7-10-22-16-6-3-2-5-15(16)18(23)19-17(14)22/h2-3,5-6,13H,4,7-12H2,1H3/b14-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...				J Med Chem 59: 5095-101 (2016) Article DOI: 10.1021/acs.jmedchem.5b01997 BindingDB Entry DOI: 10.7270/Q22R3TKH
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50184981 (CHEMBL3823055) Show SMILES CCC(CC)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21 Show InChI InChI=1S/C17H19ClN2O/c1-3-11(4-2)10-12-8-9-20-14-7-5-6-13(18)15(14)17(21)19-16(12)20/h5-7,10-11H,3-4,8-9H2,1-2H3/b12-10+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Binding affinity to His6-tagged human recombinant PB1 bromodomain isoform 5 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microca...				J Med Chem 59: 5095-101 (2016) Article DOI: 10.1021/acs.jmedchem.5b01997 BindingDB Entry DOI: 10.7270/Q22R3TKH
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50158688 (CHEMBL3752911) Show SMILES [H][C@@]12CN(c3ccccn3)[C@@]([H])(CN1\C=C\C(=O)c1ccccc1O)C2 |r| Show InChI InChI=1S/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+/t14-,15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Binding affinity to His6-tagged human recombinant PB1 bromodomain isoform 5 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microca...				J Med Chem 59: 5095-101 (2016) Article DOI: 10.1021/acs.jmedchem.5b01997 BindingDB Entry DOI: 10.7270/Q22R3TKH
					More data for this Ligand-Target Pair
Transcription activator BRG1 (Homo sapiens (Human))	BDBM50184979 (CHEMBL3822689) Show SMILES CN1CCN(CC1)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21 Show InChI InChI=1S/C17H19ClN4O/c1-20-7-9-21(10-8-20)11-12-5-6-22-14-4-2-3-13(18)15(14)17(23)19-16(12)22/h2-4,11H,5-10H2,1H3/b12-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	417	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Binding affinity to His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microcalorime...				J Med Chem 59: 5095-101 (2016) Article DOI: 10.1021/acs.jmedchem.5b01997 BindingDB Entry DOI: 10.7270/Q22R3TKH
					More data for this Ligand-Target Pair
Transcription activator BRG1 (Homo sapiens (Human))	BDBM50184981 (CHEMBL3823055) Show SMILES CCC(CC)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21 Show InChI InChI=1S/C17H19ClN2O/c1-3-11(4-2)10-12-8-9-20-14-7-5-6-13(18)15(14)17(21)19-16(12)20/h5-7,10-11H,3-4,8-9H2,1-2H3/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.03E+3	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Binding affinity to His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microcalorime...				J Med Chem 59: 5095-101 (2016) Article DOI: 10.1021/acs.jmedchem.5b01997 BindingDB Entry DOI: 10.7270/Q22R3TKH
					More data for this Ligand-Target Pair
Transcription activator BRG1 (Homo sapiens (Human))	BDBM50158688 (CHEMBL3752911) Show SMILES [H][C@@]12CN(c3ccccn3)[C@@]([H])(CN1\C=C\C(=O)c1ccccc1O)C2 |r| Show InChI InChI=1S/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+/t14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Binding affinity to His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microcalorime...				J Med Chem 59: 5095-101 (2016) Article DOI: 10.1021/acs.jmedchem.5b01997 BindingDB Entry DOI: 10.7270/Q22R3TKH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein polybromo-1 (Homo sapiens (Human))	BDBM50184980 (CHEMBL3824067) Show SMILES CCN1CCN(CC1)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21 Show InChI InChI=1S/C18H21ClN4O/c1-2-21-8-10-22(11-9-21)12-13-6-7-23-15-5-3-4-14(19)16(15)18(24)20-17(13)23/h3-5,12H,2,6-11H2,1H3/b13-12+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	142	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Binding affinity to His6-tagged human recombinant PB1 bromodomain isoform 5 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microca...				J Med Chem 59: 5095-101 (2016) Article DOI: 10.1021/acs.jmedchem.5b01997 BindingDB Entry DOI: 10.7270/Q22R3TKH
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50184979 (CHEMBL3822689) Show SMILES CN1CCN(CC1)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21 Show InChI InChI=1S/C17H19ClN4O/c1-20-7-9-21(10-8-20)11-12-5-6-22-14-4-2-3-13(18)15(14)17(23)19-16(12)22/h2-4,11H,5-10H2,1H3/b12-11+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Binding affinity to His6-tagged human recombinant PB1 bromodomain isoform 5 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microca...				J Med Chem 59: 5095-101 (2016) Article DOI: 10.1021/acs.jmedchem.5b01997 BindingDB Entry DOI: 10.7270/Q22R3TKH
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50184978 (CHEMBL3823524) Show SMILES Clc1cccc2n3CC\C(=C/N4CCCCC4)c3nc(=O)c12 Show InChI InChI=1S/C17H18ClN3O/c18-13-5-4-6-14-15(13)17(22)19-16-12(7-10-21(14)16)11-20-8-2-1-3-9-20/h4-6,11H,1-3,7-10H2/b12-11+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Binding affinity to His6-tagged human recombinant PB1 bromodomain isoform 5 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microca...				J Med Chem 59: 5095-101 (2016) Article DOI: 10.1021/acs.jmedchem.5b01997 BindingDB Entry DOI: 10.7270/Q22R3TKH
					More data for this Ligand-Target Pair
Probable global transcription activator SNF2L2 (Homo sapiens (Human))	BDBM50184979 (CHEMBL3822689) Show SMILES CN1CCN(CC1)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21 Show InChI InChI=1S/C17H19ClN4O/c1-20-7-9-21(10-8-20)11-12-5-6-22-14-4-2-3-13(18)15(14)17(23)19-16(12)22/h2-4,11H,5-10H2,1H3/b12-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	262	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Binding affinity to His6-tagged human recombinant SMARCA2B bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microcalorim...				J Med Chem 59: 5095-101 (2016) Article DOI: 10.1021/acs.jmedchem.5b01997 BindingDB Entry DOI: 10.7270/Q22R3TKH
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50184973 (CHEMBL3822828) Show SMILES O=c1nc2\C(CCn2c2ccccc12)=C\N1CCCCC1 Show InChI InChI=1S/C17H19N3O/c21-17-14-6-2-3-7-15(14)20-11-8-13(16(20)18-17)12-19-9-4-1-5-10-19/h2-3,6-7,12H,1,4-5,8-11H2/b13-12+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Binding affinity to His6-tagged human recombinant PB1 bromodomain isoform 5 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microca...				J Med Chem 59: 5095-101 (2016) Article DOI: 10.1021/acs.jmedchem.5b01997 BindingDB Entry DOI: 10.7270/Q22R3TKH
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50184972 (CHEMBL3823525) Show SMILES O=c1nc2\C(CCn2c2ccccc12)=C\N1CCCC1 Show InChI InChI=1S/C16H17N3O/c20-16-13-5-1-2-6-14(13)19-10-7-12(15(19)17-16)11-18-8-3-4-9-18/h1-2,5-6,11H,3-4,7-10H2/b12-11+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Binding affinity to His6-tagged human recombinant PB1 bromodomain isoform 5 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microca...				J Med Chem 59: 5095-101 (2016) Article DOI: 10.1021/acs.jmedchem.5b01997 BindingDB Entry DOI: 10.7270/Q22R3TKH
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50184977 (CHEMBL3823132) Show SMILES CN(C)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21 Show InChI InChI=1S/C14H14ClN3O/c1-17(2)8-9-6-7-18-11-5-3-4-10(15)12(11)14(19)16-13(9)18/h3-5,8H,6-7H2,1-2H3/b9-8+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Binding affinity to His6-tagged human recombinant PB1 bromodomain isoform 5 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microca...				J Med Chem 59: 5095-101 (2016) Article DOI: 10.1021/acs.jmedchem.5b01997 BindingDB Entry DOI: 10.7270/Q22R3TKH
					More data for this Ligand-Target Pair