Compile Data Set for Download or QSAR

Found 268 hits with Last Name = 'walker' and Initial = 'ge'   

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))	BDBM50534816 (CHEMBL4591500) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2[C@@H](C)CN(C[C@H]2C)C(C)=O)cc1 |r| Show InChI InChI=1S/C27H37N7O3/c1-19-17-32(21(3)35)18-20(2)33(19)15-16-37-24-7-5-22(6-8-24)23-11-13-31(14-12-23)26-10-9-25-28-29-27(36-4)34(25)30-26/h5-10,19-20,23H,11-18H2,1-4H3/t19-,20+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534829 (CHEMBL4447492) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(CCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C25H33N7O2/c1-18-24(33)29(2)16-17-30(18)13-10-19-4-6-20(7-5-19)21-11-14-31(15-12-21)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,21H,10-17H2,1-3H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534814 (CHEMBL4466676) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C26H35N7O3/c1-19-25(34)30(2)16-17-31(19)13-4-18-36-22-7-5-20(6-8-22)21-11-14-32(15-12-21)24-10-9-23-27-28-26(35-3)33(23)29-24/h5-10,19,21H,4,11-18H2,1-3H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534827 (CHEMBL4460682) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2C[C@H](C)N([C@H](C)C2)C(C)=O)cc1 |r| Show InChI InChI=1S/C27H37N7O3/c1-19-17-31(18-20(2)33(19)21(3)35)15-16-37-24-7-5-22(6-8-24)23-11-13-32(14-12-23)26-10-9-25-28-29-27(36-4)34(25)30-26/h5-10,19-20,23H,11-18H2,1-4H3/t19-,20+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C25H33N7O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534823 (CHEMBL4593653) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCCCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C27H37N7O3/c1-20-26(35)31(2)17-18-32(20)14-4-5-19-37-23-8-6-21(7-9-23)22-12-15-33(16-13-22)25-11-10-24-28-29-27(36-3)34(24)30-25/h6-11,20,22H,4-5,12-19H2,1-3H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534815 (CHEMBL4457035) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2[C@H](C)CN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C26H35N7O3/c1-18-17-30(3)25(34)19(2)32(18)15-16-36-22-7-5-20(6-8-22)21-11-13-31(14-12-21)24-10-9-23-27-28-26(35-4)33(23)29-24/h5-10,18-19,21H,11-17H2,1-4H3/t18-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534828 (CHEMBL4448398) Show SMILES C[C@H]1N(CCOc2ccc(cc2)C2CCN(CC2)c2ccc3nnc(n3n2)C(F)(F)F)CCN(C)C1=O |r| Show InChI InChI=1S/C25H30F3N7O2/c1-17-23(36)32(2)13-14-33(17)15-16-37-20-5-3-18(4-6-20)19-9-11-34(12-10-19)22-8-7-21-29-30-24(25(26,27)28)35(21)31-22/h3-8,17,19H,9-16H2,1-2H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534813 (CHEMBL4453435) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(cc1)N1CC(CN2CCN(C)C(=O)[C@H]2C)C1 |r| Show InChI InChI=1S/C27H36N8O2/c1-19-26(36)31(2)14-15-33(19)16-20-17-34(18-20)23-6-4-21(5-7-23)22-10-12-32(13-11-22)25-9-8-24-28-29-27(37-3)35(24)30-25/h4-9,19-20,22H,10-18H2,1-3H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534811 (CHEMBL4513991) Show SMILES C[C@H]1N(CCOc2ccc(cc2)C2CCN(CC2)c2ccc3nnc(Cl)n3n2)CCN(C)C1=O |r| Show InChI InChI=1S/C24H30ClN7O2/c1-17-23(33)29(2)13-14-30(17)15-16-34-20-5-3-18(4-6-20)19-9-11-31(12-10-19)22-8-7-21-26-27-24(25)32(21)28-22/h3-8,17,19H,9-16H2,1-2H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534819 (CHEMBL4470311) Show SMILES CSc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C25H33N7O2S/c1-18-24(33)29(2)14-15-30(18)16-17-34-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(35-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534825 (CHEMBL4472759) Show SMILES C[C@H]1N(CCOc2ccc(cc2)C2CCN(CC2)c2ccc3nnc(N(C)C)n3n2)CCN(C)C1=O |r| Show InChI InChI=1S/C26H36N8O2/c1-19-25(35)31(4)15-16-32(19)17-18-36-22-7-5-20(6-8-22)21-11-13-33(14-12-21)24-10-9-23-27-28-26(30(2)3)34(23)29-24/h5-10,19,21H,11-18H2,1-4H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534822 (CHEMBL4436251) Show SMILES C[C@H]1N(CCOc2ccc(cc2)C2CCN(CC2)c2ccc3nnc(C)n3n2)CCN(C)C1=O |r| Show InChI InChI=1S/C25H33N7O2/c1-18-25(33)29(3)14-15-30(18)16-17-34-22-6-4-20(5-7-22)21-10-12-31(13-11-21)24-9-8-23-27-26-19(2)32(23)28-24/h4-9,18,21H,10-17H2,1-3H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534816 (CHEMBL4591500) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2[C@@H](C)CN(C[C@H]2C)C(C)=O)cc1 |r| Show InChI InChI=1S/C27H37N7O3/c1-19-17-32(21(3)35)18-20(2)33(19)15-16-37-24-7-5-22(6-8-24)23-11-13-31(14-12-23)26-10-9-25-28-29-27(36-4)34(25)30-26/h5-10,19-20,23H,11-18H2,1-4H3/t19-,20+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 1 (44 to 460 residues) N140A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365463 (CHEMBL1232461) Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 2 (44 to 460 residues) N433A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C25H33N7O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BRD4 bromodomain 1 expressed in bacterial expression system				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534816 (CHEMBL4591500) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2[C@@H](C)CN(C[C@H]2C)C(C)=O)cc1 |r| Show InChI InChI=1S/C27H37N7O3/c1-19-17-32(21(3)35)18-20(2)33(19)15-16-37-24-7-5-22(6-8-24)23-11-13-31(14-12-23)26-10-9-25-28-29-27(36-4)34(25)30-26/h5-10,19-20,23H,11-18H2,1-4H3/t19-,20+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 2 (44 to 460 residues) N433A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365463 (CHEMBL1232461) Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534824 (CHEMBL4438843) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(cc1)N1CCC(CC1)N1CCN(C)C(=O)[C@H]1C |r| Show InChI InChI=1S/C28H38N8O2/c1-20-27(37)32(2)18-19-35(20)24-12-16-33(17-13-24)23-6-4-21(5-7-23)22-10-14-34(15-11-22)26-9-8-25-29-30-28(38-3)36(25)31-26/h4-9,20,22,24H,10-19H2,1-3H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534827 (CHEMBL4460682) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2C[C@H](C)N([C@H](C)C2)C(C)=O)cc1 |r| Show InChI InChI=1S/C27H37N7O3/c1-19-17-31(18-20(2)33(19)21(3)35)15-16-37-24-7-5-22(6-8-24)23-11-13-32(14-12-23)26-10-9-25-28-29-27(36-4)34(25)30-26/h5-10,19-20,23H,11-18H2,1-4H3/t19-,20+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 2 (44 to 460 residues) N433A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365463 (CHEMBL1232461) Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 1 (44 to 460 residues) N140A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534826 (CHEMBL4461618) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(cc1)N1CC(C1)N1CCN(C)C(=O)[C@H]1C |r| Show InChI InChI=1S/C26H34N8O2/c1-18-25(35)30(2)14-15-33(18)22-16-32(17-22)21-6-4-19(5-7-21)20-10-12-31(13-11-20)24-9-8-23-27-28-26(36-3)34(23)29-24/h4-9,18,20,22H,10-17H2,1-3H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534823 (CHEMBL4593653) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCCCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C27H37N7O3/c1-20-26(35)31(2)17-18-32(20)14-4-5-19-37-23-8-6-21(7-9-23)22-12-15-33(16-13-22)25-11-10-24-28-29-27(36-3)34(24)30-25/h6-11,20,22H,4-5,12-19H2,1-3H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 2 (44 to 460 residues) N433A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C25H33N7O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BRD3 bromodomain 1 expressed in bacterial expression system				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534814 (CHEMBL4466676) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C26H35N7O3/c1-19-25(34)30(2)16-17-31(19)13-4-18-36-22-7-5-20(6-8-22)21-11-14-32(15-12-21)24-10-9-23-27-28-26(35-3)33(23)29-24/h5-10,19,21H,4,11-18H2,1-3H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 1 (44 to 460 residues) N140A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534828 (CHEMBL4448398) Show SMILES C[C@H]1N(CCOc2ccc(cc2)C2CCN(CC2)c2ccc3nnc(n3n2)C(F)(F)F)CCN(C)C1=O |r| Show InChI InChI=1S/C25H30F3N7O2/c1-17-23(36)32(2)13-14-33(17)15-16-37-20-5-3-18(4-6-20)19-9-11-34(12-10-19)22-8-7-21-29-30-24(25(26,27)28)35(21)31-22/h3-8,17,19H,9-16H2,1-2H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 1 (44 to 460 residues) N140A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534814 (CHEMBL4466676) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C26H35N7O3/c1-19-25(34)30(2)16-17-31(19)13-4-18-36-22-7-5-20(6-8-22)21-11-14-32(15-12-21)24-10-9-23-27-28-26(35-3)33(23)29-24/h5-10,19,21H,4,11-18H2,1-3H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 2 (44 to 460 residues) N433A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C25H33N7O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BRDT bromodomain 1 expressed in bacterial expression system				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534813 (CHEMBL4453435) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(cc1)N1CC(CN2CCN(C)C(=O)[C@H]2C)C1 |r| Show InChI InChI=1S/C27H36N8O2/c1-19-26(36)31(2)14-15-33(19)16-20-17-34(18-20)23-6-4-21(5-7-23)22-10-12-32(13-11-22)25-9-8-24-28-29-27(37-3)35(24)30-25/h4-9,19-20,22H,10-18H2,1-3H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 1 (44 to 460 residues) N140A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534823 (CHEMBL4593653) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCCCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C27H37N7O3/c1-20-26(35)31(2)17-18-32(20)14-4-5-19-37-23-8-6-21(7-9-23)22-12-15-33(16-13-22)25-11-10-24-28-29-27(36-3)34(24)30-25/h6-11,20,22H,4-5,12-19H2,1-3H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 1 (44 to 460 residues) N140A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C25H33N7O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BRD2 bromodomain 1 expressed in bacterial expression system				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534829 (CHEMBL4447492) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(CCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C25H33N7O2/c1-18-24(33)29(2)16-17-30(18)13-10-19-4-6-20(7-5-19)21-11-14-31(15-12-21)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,21H,10-17H2,1-3H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 2 (44 to 460 residues) N433A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534829 (CHEMBL4447492) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(CCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C25H33N7O2/c1-18-24(33)29(2)16-17-30(18)13-10-19-4-6-20(7-5-19)21-11-14-31(15-12-21)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,21H,10-17H2,1-3H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 1 (44 to 460 residues) N140A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534818 (CHEMBL4442982) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@@H]2C)cc1 |r| Show InChI InChI=1S/C25H33N7O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C25H33N7O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BRD4 bromodomain 2 expressed in bacterial expression system				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534815 (CHEMBL4457035) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2[C@H](C)CN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C26H35N7O3/c1-18-17-30(3)25(34)19(2)32(18)15-16-36-22-7-5-20(6-8-22)21-11-13-31(14-12-21)24-10-9-23-27-28-26(35-4)33(23)29-24/h5-10,18-19,21H,11-17H2,1-4H3/t18-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 2 (44 to 460 residues) N433A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C25H33N7O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 2 (44 to 460 residues) N433A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534819 (CHEMBL4470311) Show SMILES CSc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C25H33N7O2S/c1-18-24(33)29(2)14-15-30(18)16-17-34-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(35-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 1 (44 to 460 residues) N140A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C25H33N7O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 1 (44 to 460 residues) N140A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534813 (CHEMBL4453435) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(cc1)N1CC(CN2CCN(C)C(=O)[C@H]2C)C1 |r| Show InChI InChI=1S/C27H36N8O2/c1-19-26(36)31(2)14-15-33(19)16-20-17-34(18-20)23-6-4-21(5-7-23)22-10-12-32(13-11-22)25-9-8-24-28-29-27(37-3)35(24)30-25/h4-9,19-20,22H,10-18H2,1-3H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 2 (44 to 460 residues) N433A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534824 (CHEMBL4438843) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(cc1)N1CCC(CC1)N1CCN(C)C(=O)[C@H]1C |r| Show InChI InChI=1S/C28H38N8O2/c1-20-27(37)32(2)18-19-35(20)24-12-16-33(17-13-24)23-6-4-21(5-7-23)22-10-14-34(15-11-22)26-9-8-25-29-30-28(38-3)36(25)31-26/h4-9,20,22,24H,10-19H2,1-3H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 2 (44 to 460 residues) N433A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534819 (CHEMBL4470311) Show SMILES CSc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C25H33N7O2S/c1-18-24(33)29(2)14-15-30(18)16-17-34-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(35-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 2 (44 to 460 residues) N433A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534827 (CHEMBL4460682) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2C[C@H](C)N([C@H](C)C2)C(C)=O)cc1 |r| Show InChI InChI=1S/C27H37N7O3/c1-19-17-31(18-20(2)33(19)21(3)35)15-16-37-24-7-5-22(6-8-24)23-11-13-32(14-12-23)26-10-9-25-28-29-27(36-4)34(25)30-26/h5-10,19-20,23H,11-18H2,1-4H3/t19-,20+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 1 (44 to 460 residues) N140A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534817 (CHEMBL4569647) Show SMILES CN1CCN(CCOc2ccc(cc2)C2CCN(CC2)c2ccc3nnc(n3n2)C(F)(F)F)CC1=O Show InChI InChI=1S/C24H28F3N7O2/c1-31-12-13-32(16-22(31)35)14-15-36-19-4-2-17(3-5-19)18-8-10-33(11-9-18)21-7-6-20-28-29-23(24(25,26)27)34(20)30-21/h2-7,18H,8-16H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534826 (CHEMBL4461618) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(cc1)N1CC(C1)N1CCN(C)C(=O)[C@H]1C |r| Show InChI InChI=1S/C26H34N8O2/c1-18-25(35)30(2)14-15-33(18)22-16-32(17-22)21-6-4-19(5-7-21)20-10-12-31(13-11-20)24-9-8-23-27-28-26(36-3)34(23)29-24/h4-9,18,20,22H,10-17H2,1-3H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 2 (44 to 460 residues) N433A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534822 (CHEMBL4436251) Show SMILES C[C@H]1N(CCOc2ccc(cc2)C2CCN(CC2)c2ccc3nnc(C)n3n2)CCN(C)C1=O |r| Show InChI InChI=1S/C25H33N7O2/c1-18-25(33)29(3)14-15-30(18)16-17-34-22-6-4-20(5-7-22)21-10-12-31(13-11-21)24-9-8-23-27-26-19(2)32(23)28-24/h4-9,18,21H,10-17H2,1-3H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 1 (44 to 460 residues) N140A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534811 (CHEMBL4513991) Show SMILES C[C@H]1N(CCOc2ccc(cc2)C2CCN(CC2)c2ccc3nnc(Cl)n3n2)CCN(C)C1=O |r| Show InChI InChI=1S/C24H30ClN7O2/c1-17-23(33)29(2)13-14-30(17)15-16-34-20-5-3-18(4-6-20)19-9-11-31(12-10-19)22-8-7-21-26-27-24(25)32(21)28-22/h3-8,17,19H,9-16H2,1-2H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 2 (44 to 460 residues) N433A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534822 (CHEMBL4436251) Show SMILES C[C@H]1N(CCOc2ccc(cc2)C2CCN(CC2)c2ccc3nnc(C)n3n2)CCN(C)C1=O |r| Show InChI InChI=1S/C25H33N7O2/c1-18-25(33)29(3)14-15-30(18)16-17-34-22-6-4-20(5-7-22)21-10-12-31(13-11-21)24-9-8-23-27-26-19(2)32(23)28-24/h4-9,18,21H,10-17H2,1-3H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 2 (44 to 460 residues) N433A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50534815 (CHEMBL4457035) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2[C@H](C)CN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C26H35N7O3/c1-18-17-30(3)25(34)19(2)32(18)15-16-36-22-7-5-20(6-8-22)21-11-13-31(14-12-21)24-10-9-23-27-28-26(35-4)33(23)29-24/h5-10,18-19,21H,11-17H2,1-4H3/t18-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 1 (44 to 460 residues) N140A mutant (unknown origin) incubated for 1 ...				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50260093 (CHEMBL4078100) Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1 |r| Show InChI InChI=1S/C25H33N7O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BRD2 bromodomain 2 expressed in bacterial expression system				J Med Chem 59: 7801-17 (2016) Article DOI: 10.1021/acs.jmedchem.6b00070 BindingDB Entry DOI: 10.7270/Q2697721
					More data for this Ligand-Target Pair

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