Compile Data Set for Download or QSAR

Found 60 hits with Last Name = 'mckeown' and Initial = 'mr'   

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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50210164 (CHEMBL2132936) Show SMILES Cc1nnc2C(CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of [3H]-Nalpha-methylhistamine binding to H3 receptor in guinea-pig brain membranes				Citation and Details Article DOI: 10.1038/nature09504 BindingDB Entry DOI: 10.7270/Q2R78JST
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	US Patent	n/a	n/a	44	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...				US Patent US9695172 (2017) BindingDB Entry DOI: 10.7270/Q2JD4TX8
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	US Patent	n/a	n/a	147	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...				US Patent US9695172 (2017) BindingDB Entry DOI: 10.7270/Q2JD4TX8
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030895 (CHEMBL3356570) Show SMILES COc1cc(ccc1-c1nc2cnccn2c1NC(C)C)-c1c(C)noc1C Show InChI InChI=1S/C21H23N5O2/c1-12(2)23-21-20(24-18-11-22-8-9-26(18)21)16-7-6-15(10-17(16)27-5)19-13(3)25-28-14(19)4/h6-12,23H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	474	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030910 (CHEMBL3356556) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccccn2c1NC(C)(C)C Show InChI InChI=1S/C22H24N4O/c1-14-19(15(2)27-25-14)16-9-11-17(12-10-16)20-21(24-22(3,4)5)26-13-7-6-8-18(26)23-20/h6-13,24H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	479	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030896 (CHEMBL3356569) Show SMILES COc1cc(ccc1-c1nc2cnccn2c1NC(C)(C)C)-c1c(C)noc1C Show InChI InChI=1S/C22H25N5O2/c1-13-19(14(2)29-26-13)15-7-8-16(17(11-15)28-6)20-21(25-22(3,4)5)27-10-9-23-12-18(27)24-20/h7-12,25H,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	562	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030894 (CHEMBL3356559) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NC(C)(C)C Show InChI InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-11-10-22-12-17(26)23-19/h6-12,24H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	637	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030901 (CHEMBL3356564) Show SMILES CC(C)Nc1c(nc2cnccn12)-c1ccc(cc1)-c1c(C)noc1C Show InChI InChI=1S/C20H21N5O/c1-12(2)22-20-19(23-17-11-21-9-10-25(17)20)16-7-5-15(6-8-16)18-13(3)24-26-14(18)4/h5-12,22H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	807	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030908 (CHEMBL3356558) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ncccn2c1NC(C)(C)C Show InChI InChI=1S/C21H23N5O/c1-13-17(14(2)27-25-13)15-7-9-16(10-8-15)18-19(24-21(3,4)5)26-12-6-11-22-20(26)23-18/h6-12,24H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030920 (CHEMBL3356547) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1 Show InChI InChI=1S/C24H26N4O/c1-16-22(17(2)29-27-16)18-11-13-19(14-12-18)23-24(25-20-8-4-3-5-9-20)28-15-7-6-10-21(28)26-23/h6-7,10-15,20,25H,3-5,8-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	904	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030902 (CHEMBL3356563) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccc(cn2c1NC(C)(C)C)C(O)=O Show InChI InChI=1S/C23H24N4O3/c1-13-19(14(2)30-26-13)15-6-8-16(9-7-15)20-21(25-23(3,4)5)27-12-17(22(28)29)10-11-18(27)24-20/h6-12,25H,1-5H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	968	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030906 (CHEMBL3356560) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccc(Cl)cn2c1NC(C)(C)C Show InChI InChI=1S/C22H23ClN4O/c1-13-19(14(2)28-26-13)15-6-8-16(9-7-15)20-21(25-22(3,4)5)27-12-17(23)10-11-18(27)24-20/h6-12,25H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM106150 (US9695172, 3) Show SMILES COc1cc(ccc1Nc1ccc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C32H39N7O3/c1-35-17-19-38(20-18-35)23-13-15-39(16-14-23)31(40)22-9-10-25(28(21-22)42-4)33-29-12-11-27-30(34-29)36(2)26-8-6-5-7-24(26)32(41)37(27)3/h5-12,21,23H,13-20H2,1-4H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...				US Patent US9695172 (2017) BindingDB Entry DOI: 10.7270/Q2JD4TX8
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030903 (CHEMBL3356562) Show SMILES COC(=O)c1ccc2nc(c(NC(C)(C)C)n2c1)-c1ccc(cc1)-c1c(C)noc1C Show InChI InChI=1S/C24H26N4O3/c1-14-20(15(2)31-27-14)16-7-9-17(10-8-16)21-22(26-24(3,4)5)28-13-18(23(29)30-6)11-12-19(28)25-21/h7-13,26H,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030900 (CHEMBL3356565) Show SMILES CCCCNc1c(nc2cnccn12)-c1ccc(cc1)-c1c(C)noc1C Show InChI InChI=1S/C21H23N5O/c1-4-5-10-23-21-20(24-18-13-22-11-12-26(18)21)17-8-6-16(7-9-17)19-14(2)25-27-15(19)3/h6-9,11-13,23H,4-5,10H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030932 (CHEMBL3356132) Show SMILES Cc1noc(C)c1-c1ccc(C=O)cc1 Show InChI InChI=1S/C12H11NO2/c1-8-12(9(2)15-13-8)11-5-3-10(7-14)4-6-11/h3-7H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030931 (CHEMBL3356133) Show SMILES CC(=O)c1ccc(cc1)-c1c(C)noc1C Show InChI InChI=1S/C13H13NO2/c1-8-13(10(3)16-14-8)12-6-4-11(5-7-12)9(2)15/h4-7H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030926 (CHEMBL3356541) Show SMILES Cc1noc(C)c1-c1cccc(c1)C1Nc2ccccc2NC2=C1C(=O)OC2 |c:25| Show InChI InChI=1S/C22H19N3O3/c1-12-19(13(2)28-25-12)14-6-5-7-15(10-14)21-20-18(11-27-22(20)26)23-16-8-3-4-9-17(16)24-21/h3-10,21,23-24H,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM106153 (US9695172, 2-227) Show SMILES COc1cc(ccc1Nc1ccc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1 Show InChI InChI=1S/C28H32N6O3/c1-32-15-13-19(14-16-32)29-27(35)18-9-10-21(24(17-18)37-4)30-25-12-11-23-26(31-25)33(2)22-8-6-5-7-20(22)28(36)34(23)3/h5-12,17,19H,13-16H2,1-4H3,(H,29,35)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...				US Patent US9695172 (2017) BindingDB Entry DOI: 10.7270/Q2JD4TX8
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030919 (CHEMBL3356548) Show SMILES COc1ccc(Nc2c(nc3ccccn23)-c2ccc(cc2)-c2c(C)noc2C)cc1 Show InChI InChI=1S/C25H22N4O2/c1-16-23(17(2)31-28-16)18-7-9-19(10-8-18)24-25(29-15-5-4-6-22(29)27-24)26-20-11-13-21(30-3)14-12-20/h4-15,26H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030915 (CHEMBL3356552) Show SMILES C[C@H](Nc1c(nc2cnccn12)-c1ccc(cc1)-c1c(C)noc1C)c1ccccc1 |r| Show InChI InChI=1S/C25H23N5O/c1-16(19-7-5-4-6-8-19)27-25-24(28-22-15-26-13-14-30(22)25)21-11-9-20(10-12-21)23-17(2)29-31-18(23)3/h4-16,27H,1-3H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030917 (CHEMBL3356550) Show SMILES COc1ccc(Nc2c(nc3cc(OC)ncn23)-c2ccc(cc2)-c2c(C)noc2C)cc1 Show InChI InChI=1S/C25H23N5O3/c1-15-23(16(2)33-29-15)17-5-7-18(8-6-17)24-25(27-19-9-11-20(31-3)12-10-19)30-14-26-22(32-4)13-21(30)28-24/h5-14,27H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM106152 (US9695172, 2-221) Show SMILES CN1c2ccccc2C(=O)N(C)c2ccc(Nc3ccc(cc3)S(N)(=O)=O)nc12 Show InChI InChI=1S/C20H19N5O3S/c1-24-16-6-4-3-5-15(16)20(26)25(2)17-11-12-18(23-19(17)24)22-13-7-9-14(10-8-13)29(21,27)28/h3-12H,1-2H3,(H,22,23)(H2,21,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.99E+3	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...				US Patent US9695172 (2017) BindingDB Entry DOI: 10.7270/Q2JD4TX8
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030905 (CHEMBL3352858) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccc(C)cn2c1NC(C)(C)C Show InChI InChI=1S/C23H26N4O/c1-14-7-12-19-24-21(22(27(19)13-14)25-23(4,5)6)18-10-8-17(9-11-18)20-15(2)26-28-16(20)3/h7-13,25H,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM106150 (US9695172, 3) Show SMILES COc1cc(ccc1Nc1ccc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C32H39N7O3/c1-35-17-19-38(20-18-35)23-13-15-39(16-14-23)31(40)22-9-10-25(28(21-22)42-4)33-29-12-11-27-30(34-29)36(2)26-8-6-5-7-24(26)32(41)37(27)3/h5-12,21,23H,13-20H2,1-4H3,(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.68E+3	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...				US Patent US9695172 (2017) BindingDB Entry DOI: 10.7270/Q2JD4TX8
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030924 (CHEMBL3356543) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccccn2c1N Show InChI InChI=1S/C18H16N4O/c1-11-16(12(2)23-21-11)13-6-8-14(9-7-13)17-18(19)22-10-4-3-5-15(22)20-17/h3-10H,19H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030913 (CHEMBL3356554) Show SMILES CCOC(=O)CNc1c(nc2cnccn12)-c1ccc(cc1)-c1c(C)noc1C Show InChI InChI=1S/C21H21N5O3/c1-4-28-18(27)12-23-21-20(24-17-11-22-9-10-26(17)21)16-7-5-15(6-8-16)19-13(2)25-29-14(19)3/h5-11,23H,4,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030911 (CHEMBL3356555) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NCC(=O)OC(C)(C)C Show InChI InChI=1S/C23H25N5O3/c1-14-20(15(2)31-27-14)16-6-8-17(9-7-16)21-22(25-13-19(29)30-23(3,4)5)28-11-10-24-12-18(28)26-21/h6-12,25H,13H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM106153 (US9695172, 2-227) Show SMILES COc1cc(ccc1Nc1ccc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1 Show InChI InChI=1S/C28H32N6O3/c1-32-15-13-19(14-16-32)29-27(35)18-9-10-21(24(17-18)37-4)30-25-12-11-23-26(31-25)33(2)22-8-6-5-7-20(22)28(36)34(23)3/h5-12,17,19H,13-16H2,1-4H3,(H,29,35)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.41E+3	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...				US Patent US9695172 (2017) BindingDB Entry DOI: 10.7270/Q2JD4TX8
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM106152 (US9695172, 2-221) Show SMILES CN1c2ccccc2C(=O)N(C)c2ccc(Nc3ccc(cc3)S(N)(=O)=O)nc12 Show InChI InChI=1S/C20H19N5O3S/c1-24-16-6-4-3-5-15(16)20(26)25(2)17-11-12-18(23-19(17)24)22-13-7-9-14(10-8-13)29(21,27)28/h3-12H,1-2H3,(H,22,23)(H2,21,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.66E+3	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...				US Patent US9695172 (2017) BindingDB Entry DOI: 10.7270/Q2JD4TX8
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030916 (CHEMBL3356551) Show SMILES COc1ccc(Nc2c(nn3ccncc23)-c2ccc(cc2)-c2c(C)noc2C)cc1 Show InChI InChI=1S/C24H21N5O2/c1-15-22(16(2)31-28-15)17-4-6-18(7-5-17)23-24(21-14-25-12-13-29(21)27-23)26-19-8-10-20(30-3)11-9-19/h4-14,26H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM106153 (US9695172, 2-227) Show SMILES COc1cc(ccc1Nc1ccc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1 Show InChI InChI=1S/C28H32N6O3/c1-32-15-13-19(14-16-32)29-27(35)18-9-10-21(24(17-18)37-4)30-25-12-11-23-26(31-25)33(2)22-8-6-5-7-20(22)28(36)34(23)3/h5-12,17,19H,13-16H2,1-4H3,(H,29,35)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...				US Patent US9695172 (2017) BindingDB Entry DOI: 10.7270/Q2JD4TX8
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM106150 (US9695172, 3) Show SMILES COc1cc(ccc1Nc1ccc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C32H39N7O3/c1-35-17-19-38(20-18-35)23-13-15-39(16-14-23)31(40)22-9-10-25(28(21-22)42-4)33-29-12-11-27-30(34-29)36(2)26-8-6-5-7-24(26)32(41)37(27)3/h5-12,21,23H,13-20H2,1-4H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...				US Patent US9695172 (2017) BindingDB Entry DOI: 10.7270/Q2JD4TX8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM106152 (US9695172, 2-221) Show SMILES CN1c2ccccc2C(=O)N(C)c2ccc(Nc3ccc(cc3)S(N)(=O)=O)nc12 Show InChI InChI=1S/C20H19N5O3S/c1-24-16-6-4-3-5-15(16)20(26)25(2)17-11-12-18(23-19(17)24)22-13-7-9-14(10-8-13)29(21,27)28/h3-12H,1-2H3,(H,22,23)(H2,21,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...				US Patent US9695172 (2017) BindingDB Entry DOI: 10.7270/Q2JD4TX8
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM106152 (US9695172, 2-221) Show SMILES CN1c2ccccc2C(=O)N(C)c2ccc(Nc3ccc(cc3)S(N)(=O)=O)nc12 Show InChI InChI=1S/C20H19N5O3S/c1-24-16-6-4-3-5-15(16)20(26)25(2)17-11-12-18(23-19(17)24)22-13-7-9-14(10-8-13)29(21,27)28/h3-12H,1-2H3,(H,22,23)(H2,21,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...				US Patent US9695172 (2017) BindingDB Entry DOI: 10.7270/Q2JD4TX8
					More data for this Ligand-Target Pair
Aurora kinase C (Homo sapiens (Human))	BDBM106152 (US9695172, 2-221) Show SMILES CN1c2ccccc2C(=O)N(C)c2ccc(Nc3ccc(cc3)S(N)(=O)=O)nc12 Show InChI InChI=1S/C20H19N5O3S/c1-24-16-6-4-3-5-15(16)20(26)25(2)17-11-12-18(23-19(17)24)22-13-7-9-14(10-8-13)29(21,27)28/h3-12H,1-2H3,(H,22,23)(H2,21,27,28)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...				US Patent US9695172 (2017) BindingDB Entry DOI: 10.7270/Q2JD4TX8
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030933 (CHEMBL3356131) Show SMILES Cc1noc(C)c1-c1cccc(C=O)c1 Show InChI InChI=1S/C12H11NO2/c1-8-12(9(2)15-13-8)11-5-3-4-10(6-11)7-14/h3-7H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030929 (CHEMBL3356135) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccccn2c1NCc1ccccc1 Show InChI InChI=1S/C25H22N4O/c1-17-23(18(2)30-28-17)20-11-13-21(14-12-20)24-25(26-16-19-8-4-3-5-9-19)29-15-7-6-10-22(29)27-24/h3-15,26H,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030922 (CHEMBL3356545) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccc(Cl)cn2c1NCc1ccccc1 Show InChI InChI=1S/C25H21ClN4O/c1-16-23(17(2)31-29-16)19-8-10-20(11-9-19)24-25(27-14-18-6-4-3-5-7-18)30-15-21(26)12-13-22(30)28-24/h3-13,15,27H,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030904 (CHEMBL3356561) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2c(cccn2c1NC(C)(C)C)C(F)(F)F Show InChI InChI=1S/C23H23F3N4O/c1-13-18(14(2)31-29-13)15-8-10-16(11-9-15)19-21(28-22(3,4)5)30-12-6-7-17(20(30)27-19)23(24,25)26/h6-12,28H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030898 (CHEMBL3356567) Show SMILES Cc1noc(C)c1-c1ccc(nc1)-c1nc2cnccn2c1NC(C)(C)C Show InChI InChI=1S/C20H22N6O/c1-12-17(13(2)27-25-12)14-6-7-15(22-10-14)18-19(24-20(3,4)5)26-9-8-21-11-16(26)23-18/h6-11,24H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030897 (CHEMBL3356568) Show SMILES Cc1noc(C)c1-c1ccc(cc1F)-c1nc2cnccn2c1NC(C)(C)C |(7.65,-53.99,;7.17,-55.45,;5.7,-55.93,;5.7,-57.47,;7.17,-57.95,;7.65,-59.41,;8.08,-56.7,;9.62,-56.7,;10.39,-55.36,;11.93,-55.36,;12.7,-56.7,;11.93,-58.03,;10.39,-58.03,;9.62,-59.36,;14.24,-56.7,;15.14,-57.95,;16.61,-57.47,;17.94,-58.24,;19.27,-57.47,;19.27,-55.93,;17.94,-55.16,;16.61,-55.93,;15.14,-55.45,;14.66,-53.99,;15.7,-52.84,;15.29,-51.36,;16.73,-51.7,;17.18,-53.24,)| Show InChI InChI=1S/C21H22FN5O/c1-12-18(13(2)28-26-12)15-7-6-14(10-16(15)22)19-20(25-21(3,4)5)27-9-8-23-11-17(27)24-19/h6-11,25H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030927 (CHEMBL3356137) Show SMILES CCCCN1C(c2ccc(-c3c(C)noc3C)c(OC)c2)C(=O)Nc2ccccc2C1=O |(45.11,-15.4,;44.56,-16.84,;45.51,-18.05,;44.95,-19.48,;45.91,-20.68,;45.24,-22.07,;43.7,-22.07,;42.93,-20.74,;41.39,-20.74,;40.62,-22.07,;39.08,-22.07,;38.18,-20.83,;38.65,-19.36,;36.72,-21.3,;36.72,-22.84,;38.18,-23.31,;38.65,-24.78,;41.39,-23.4,;40.62,-24.73,;41.39,-26.07,;42.93,-23.4,;45.91,-23.46,;44.95,-24.66,;47.41,-23.8,;48.61,-22.84,;49.95,-23.61,;51.29,-22.84,;51.29,-21.3,;49.95,-20.53,;48.61,-21.3,;47.41,-20.34,;47.75,-18.84,)| Show InChI InChI=1S/C25H27N3O4/c1-5-6-13-28-23(24(29)26-20-10-8-7-9-18(20)25(28)30)17-11-12-19(21(14-17)31-4)22-15(2)27-32-16(22)3/h7-12,14,23H,5-6,13H2,1-4H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030930 (CHEMBL3356134) Show SMILES CCOC(=O)C(C)N(Cc1ccc(cc1)-c1c(C)noc1C)C(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C25H28N2O5/c1-6-31-25(29)17(3)27(24(28)21-11-13-22(30-5)14-12-21)15-19-7-9-20(10-8-19)23-16(2)26-32-18(23)4/h7-14,17H,6,15H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030921 (CHEMBL3356546) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NCc1ccccc1 Show InChI InChI=1S/C24H21N5O/c1-16-22(17(2)30-28-16)19-8-10-20(11-9-19)23-24(26-14-18-6-4-3-5-7-18)29-13-12-25-15-21(29)27-23/h3-13,15,26H,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030909 (CHEMBL3356557) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccncn2c1NC(C)(C)C Show InChI InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-12-22-11-10-17(26)23-19/h6-12,24H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030918 (CHEMBL3356549) Show SMILES COc1ccc(Nc2c(nc3ccc(Cl)cn23)-c2ccc(cc2)-c2c(C)noc2C)cc1 Show InChI InChI=1S/C25H21ClN4O2/c1-15-23(16(2)32-29-15)17-4-6-18(7-5-17)24-25(27-20-9-11-21(31-3)12-10-20)30-14-19(26)8-13-22(30)28-24/h4-14,27H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50355500 (CHEMBL1908394 | US9695172, GSK461364) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...				US Patent US9695172 (2017) BindingDB Entry DOI: 10.7270/Q2JD4TX8
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50355500 (CHEMBL1908394 | US9695172, GSK461364) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...				US Patent US9695172 (2017) BindingDB Entry DOI: 10.7270/Q2JD4TX8
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030899 (CHEMBL3356566) Show SMILES Cc1noc(C)c1-c1ccc(cn1)-c1nc2cnccn2c1NC(C)(C)C Show InChI InChI=1S/C20H22N6O/c1-12-17(13(2)27-25-12)15-7-6-14(10-22-15)18-19(24-20(3,4)5)26-9-8-21-11-16(26)23-18/h6-11,24H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair

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