Compile Data Set for Download or QSAR

Found 151 hits with Last Name = 'hewings' and Initial = 'ds'   

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))	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	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follow...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					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	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of H4(1-21)KAc5,8,12,16 peptide from BRD4 isoform 1 bead based amplified luminescent proximity homogeneous assay				J Med Chem 55: 9393-413 (2012) Article DOI: 10.1021/jm300915b BindingDB Entry DOI: 10.7270/Q25B03NC
					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	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to human BRD4 bromodomain 1 using H4Ac4 peptide by amplified luminescent proximity homogeneous assay				J Med Chem 56: 3217-27 (2013) Article DOI: 10.1021/jm301588r BindingDB Entry DOI: 10.7270/Q2B859GC
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM188519 (SGC-CBP30) Show SMILES COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl |r| Show InChI InChI=1S/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human CREBBP by AlphaScreen assay				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273654 (CHEMBL4127935) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)C1CCCCC1 Show InChI InChI=1S/C18H23NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h8-10,13,18,20-21H,3-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273645 (CHEMBL4129171) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1cccnc1 Show InChI InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-6-14(8-15(20)7-13)17(21)12-4-3-5-18-9-12/h3-9,17,20-21H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273654 (CHEMBL4127935) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)C1CCCCC1 Show InChI InChI=1S/C18H23NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h8-10,13,18,20-21H,3-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273645 (CHEMBL4129171) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1cccnc1 Show InChI InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-6-14(8-15(20)7-13)17(21)12-4-3-5-18-9-12/h3-9,17,20-21H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50430826 (CHEMBL2335155) Show SMILES Cc1noc(C)c1-c1ccc2ncn(Cc3ccc(cc3)C#N)c2c1 Show InChI InChI=1S/C20H16N4O/c1-13-20(14(2)25-23-13)17-7-8-18-19(9-17)24(12-22-18)11-16-5-3-15(10-21)4-6-16/h3-9,12H,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to human BRD4 bromodomain 1 using H4Ac4 peptide by amplified luminescent proximity homogeneous assay				J Med Chem 56: 3217-27 (2013) Article DOI: 10.1021/jm301588r BindingDB Entry DOI: 10.7270/Q2B859GC
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50430826 (CHEMBL2335155) Show SMILES Cc1noc(C)c1-c1ccc2ncn(Cc3ccc(cc3)C#N)c2c1 Show InChI InChI=1S/C20H16N4O/c1-13-20(14(2)25-23-13)17-7-8-18-19(9-17)24(12-22-18)11-16-5-3-15(10-21)4-6-16/h3-9,12H,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	199	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay				Medchemcomm 4: 140-144 (2013) Article DOI: 10.1039/c2md20189e BindingDB Entry DOI: 10.7270/Q2RX9G1D
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50430826 (CHEMBL2335155) Show SMILES Cc1noc(C)c1-c1ccc2ncn(Cc3ccc(cc3)C#N)c2c1 Show InChI InChI=1S/C20H16N4O/c1-13-20(14(2)25-23-13)17-7-8-18-19(9-17)24(12-22-18)11-16-5-3-15(10-21)4-6-16/h3-9,12H,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay				Medchemcomm 4: 140-144 (2013) Article DOI: 10.1039/c2md20189e BindingDB Entry DOI: 10.7270/Q2RX9G1D
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50399434 (CHEMBL2179387) Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1 Show InChI InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)	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	220	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to human BRD4 bromodomain 1 using H4Ac4 peptide by amplified luminescent proximity homogeneous assay				J Med Chem 56: 3217-27 (2013) Article DOI: 10.1021/jm301588r BindingDB Entry DOI: 10.7270/Q2B859GC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50399434 (CHEMBL2179387) Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1 Show InChI InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)	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	220	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follow...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273629 (CHEMBL4128951) Show SMILES Cc1noc(C)c1-c1cc(O)cc(CN2CCC(F)(F)CC2)c1 Show InChI InChI=1S/C17H20F2N2O2/c1-11-16(12(2)23-20-11)14-7-13(8-15(22)9-14)10-21-5-3-17(18,19)4-6-21/h7-9,22H,3-6,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	234	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273629 (CHEMBL4128951) Show SMILES Cc1noc(C)c1-c1cc(O)cc(CN2CCC(F)(F)CC2)c1 Show InChI InChI=1S/C17H20F2N2O2/c1-11-16(12(2)23-20-11)14-7-13(8-15(22)9-14)10-21-5-3-17(18,19)4-6-21/h7-9,22H,3-6,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273652 (CHEMBL4130228) Show SMILES COc1ccccc1C(O)c1cc(O)cc(c1)-c1c(C)noc1C Show InChI InChI=1S/C19H19NO4/c1-11-18(12(2)24-20-11)13-8-14(10-15(21)9-13)19(22)16-6-4-5-7-17(16)23-3/h4-10,19,21-22H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	269	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273652 (CHEMBL4130228) Show SMILES COc1ccccc1C(O)c1cc(O)cc(c1)-c1c(C)noc1C Show InChI InChI=1S/C19H19NO4/c1-11-18(12(2)24-20-11)13-8-14(10-15(21)9-13)19(22)16-6-4-5-7-17(16)23-3/h4-10,19,21-22H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273619 (CHEMBL4125731) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccc(C)cc1 Show InChI InChI=1S/C19H19NO3/c1-11-4-6-14(7-5-11)19(22)16-8-15(9-17(21)10-16)18-12(2)20-23-13(18)3/h4-10,19,21-22H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	295	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273619 (CHEMBL4125731) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccc(C)cc1 Show InChI InChI=1S/C19H19NO3/c1-11-4-6-14(7-5-11)19(22)16-8-15(9-17(21)10-16)18-12(2)20-23-13(18)3/h4-10,19,21-22H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	296	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273650 (CHEMBL4127775) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccncc1 Show InChI InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-7-14(9-15(20)8-13)17(21)12-3-5-18-6-4-12/h3-9,17,20-21H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273650 (CHEMBL4127775) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccncc1 Show InChI InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-7-14(9-15(20)8-13)17(21)12-3-5-18-6-4-12/h3-9,17,20-21H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	303	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50430836 (CHEMBL2335153) Show SMILES CC(=O)Oc1cc(cc(c1)-c1c(C)noc1C)C(O)c1ccccc1 Show InChI InChI=1S/C20H19NO4/c1-12-19(13(2)25-21-12)16-9-17(11-18(10-16)24-14(3)22)20(23)15-7-5-4-6-8-15/h4-11,20,23H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	371	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to human BRD4 bromodomain 1 using H4Ac4 peptide by amplified luminescent proximity homogeneous assay				J Med Chem 56: 3217-27 (2013) Article DOI: 10.1021/jm301588r BindingDB Entry DOI: 10.7270/Q2B859GC
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273626 (CHEMBL4126542) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)C1CC1 Show InChI InChI=1S/C15H17NO3/c1-8-14(9(2)19-16-8)11-5-12(7-13(17)6-11)15(18)10-3-4-10/h5-7,10,15,17-18H,3-4H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	377	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273626 (CHEMBL4126542) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)C1CC1 Show InChI InChI=1S/C15H17NO3/c1-8-14(9(2)19-16-8)11-5-12(7-13(17)6-11)15(18)10-3-4-10/h5-7,10,15,17-18H,3-4H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273649 (CHEMBL2335143) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccccc1 Show InChI InChI=1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50430837 (CHEMBL2335154) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)[C@@H](O)c1ccccc1 |r| Show InChI InChI=1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3/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	n/a	n/a	382	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to human BRD4 bromodomain 1 using H4Ac4 peptide by amplified luminescent proximity homogeneous assay				J Med Chem 56: 3217-27 (2013) Article DOI: 10.1021/jm301588r BindingDB Entry DOI: 10.7270/Q2B859GC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273649 (CHEMBL2335143) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccccc1 Show InChI InChI=1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	384	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50430827 (CHEMBL2335147) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	386	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to human BRD4 bromodomain 1 using H4Ac4 peptide by amplified luminescent proximity homogeneous assay				J Med Chem 56: 3217-27 (2013) Article DOI: 10.1021/jm301588r BindingDB Entry DOI: 10.7270/Q2B859GC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273643 (CHEMBL4126957) Show SMILES COc1cccc(c1)C(O)c1cc(O)cc(c1)-c1c(C)noc1C Show InChI InChI=1S/C19H19NO4/c1-11-18(12(2)24-20-11)14-7-15(9-16(21)8-14)19(22)13-5-4-6-17(10-13)23-3/h4-10,19,21-22H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	478	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273643 (CHEMBL4126957) Show SMILES COc1cccc(c1)C(O)c1cc(O)cc(c1)-c1c(C)noc1C Show InChI InChI=1S/C19H19NO4/c1-11-18(12(2)24-20-11)14-7-15(9-16(21)8-14)19(22)13-5-4-6-17(10-13)23-3/h4-10,19,21-22H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	479	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273646 (CHEMBL4126698) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccc(Cl)cn1 Show InChI InChI=1S/C17H15ClN2O3/c1-9-16(10(2)23-20-9)11-5-12(7-14(21)6-11)17(22)15-4-3-13(18)8-19-15/h3-8,17,21-22H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273646 (CHEMBL4126698) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccc(Cl)cn1 Show InChI InChI=1S/C17H15ClN2O3/c1-9-16(10(2)23-20-9)11-5-12(7-14(21)6-11)17(22)15-4-3-13(18)8-19-15/h3-8,17,21-22H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	495	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50430838 (CHEMBL2335146) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C18H15NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,20H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	544	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to human BRD4 bromodomain 1 using H4Ac4 peptide by amplified luminescent proximity homogeneous assay				J Med Chem 56: 3217-27 (2013) Article DOI: 10.1021/jm301588r BindingDB Entry DOI: 10.7270/Q2B859GC
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273687 (CHEMBL4129017) Show SMILES COc1ccc(cc1)C(O)c1cc(O)cc(c1)-c1c(C)noc1C Show InChI InChI=1S/C19H19NO4/c1-11-18(12(2)24-20-11)14-8-15(10-16(21)9-14)19(22)13-4-6-17(23-3)7-5-13/h4-10,19,21-22H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	585	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273687 (CHEMBL4129017) Show SMILES COc1ccc(cc1)C(O)c1cc(O)cc(c1)-c1c(C)noc1C Show InChI InChI=1S/C19H19NO4/c1-11-18(12(2)24-20-11)14-8-15(10-16(21)9-14)19(22)13-4-6-17(23-3)7-5-13/h4-10,19,21-22H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	589	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273655 (CHEMBL4128749) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccc(cc1)C#N Show InChI InChI=1S/C19H16N2O3/c1-11-18(12(2)24-21-11)15-7-16(9-17(22)8-15)19(23)14-5-3-13(10-20)4-6-14/h3-9,19,22-23H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	603	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273655 (CHEMBL4128749) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccc(cc1)C#N Show InChI InChI=1S/C19H16N2O3/c1-11-18(12(2)24-21-11)15-7-16(9-17(22)8-15)19(23)14-5-3-13(10-20)4-6-14/h3-9,19,22-23H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	604	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273616 (CHEMBL4128199) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H16ClNO3/c1-10-17(11(2)23-20-10)13-7-14(9-16(21)8-13)18(22)12-3-5-15(19)6-4-12/h3-9,18,21-22H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50496778 (CHEMBL3220861) Show SMILES Cc1noc(C)c1-c1ccc2ncn(Cc3cccc(F)c3)c2c1 Show InChI InChI=1S/C19H16FN3O/c1-12-19(13(2)24-22-12)15-6-7-17-18(9-15)23(11-21-17)10-14-4-3-5-16(20)8-14/h3-9,11H,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay				Medchemcomm 4: 140-144 (2013) Article DOI: 10.1039/c2md20189e BindingDB Entry DOI: 10.7270/Q2RX9G1D
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273616 (CHEMBL4128199) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H16ClNO3/c1-10-17(11(2)23-20-10)13-7-14(9-16(21)8-13)18(22)12-3-5-15(19)6-4-12/h3-9,18,21-22H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50496791 (CHEMBL3220869) Show SMILES Cc1noc(C)c1-c1ccc2ncn(Cc3ccccc3[N+]([O-])=O)c2c1 Show InChI InChI=1S/C19H16N4O3/c1-12-19(13(2)26-21-12)14-7-8-16-18(9-14)22(11-20-16)10-15-5-3-4-6-17(15)23(24)25/h3-9,11H,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay				Medchemcomm 4: 140-144 (2013) Article DOI: 10.1039/c2md20189e BindingDB Entry DOI: 10.7270/Q2RX9G1D
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50496772 (CHEMBL3220875) Show SMILES CN(C)C(=O)c1cccc(Cn2cnc3ccc(cc23)-c2c(C)noc2C)c1 Show InChI InChI=1S/C22H22N4O2/c1-14-21(15(2)28-24-14)17-8-9-19-20(11-17)26(13-23-19)12-16-6-5-7-18(10-16)22(27)25(3)4/h5-11,13H,12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay				Medchemcomm 4: 140-144 (2013) Article DOI: 10.1039/c2md20189e BindingDB Entry DOI: 10.7270/Q2RX9G1D
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50430835 (CHEMBL2335152) Show SMILES CCOc1cc(cc(c1)-c1c(C)noc1C)C(O)c1ccccc1 Show InChI InChI=1S/C20H21NO3/c1-4-23-18-11-16(19-13(2)21-24-14(19)3)10-17(12-18)20(22)15-8-6-5-7-9-15/h5-12,20,22H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to human BRD4 bromodomain 1 using H4Ac4 peptide by amplified luminescent proximity homogeneous assay				J Med Chem 56: 3217-27 (2013) Article DOI: 10.1021/jm301588r BindingDB Entry DOI: 10.7270/Q2B859GC
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273651 (CHEMBL4126757) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(=O)N1CCNCC1 Show InChI InChI=1S/C16H19N3O3/c1-10-15(11(2)22-18-10)12-7-13(9-14(20)8-12)16(21)19-5-3-17-4-6-19/h7-9,17,20H,3-6H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	722	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273651 (CHEMBL4126757) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(=O)N1CCNCC1 Show InChI InChI=1S/C16H19N3O3/c1-10-15(11(2)22-18-10)12-7-13(9-14(20)8-12)16(21)19-5-3-17-4-6-19/h7-9,17,20H,3-6H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	724	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50430837 (CHEMBL2335154) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)[C@@H](O)c1ccccc1 |r| Show InChI InChI=1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	771	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to CREBBP bromodomain (unknown origin) using H3K56Ac peptide by amplified luminescent proximity homogeneous assay				J Med Chem 56: 3217-27 (2013) Article DOI: 10.1021/jm301588r BindingDB Entry DOI: 10.7270/Q2B859GC
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50380682 (CHEMBL2017291 | I-BET151 (16)) Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)| Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273627 (CHEMBL4130114) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1cccc(F)c1 Show InChI InChI=1S/C18H16FNO3/c1-10-17(11(2)23-20-10)13-6-14(9-16(21)8-13)18(22)12-4-3-5-15(19)7-12/h3-9,18,21-22H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	793	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50496787 (CHEMBL3220868) Show SMILES Cc1noc(C)c1-c1ccc2ncn(Cc3ccccc3Cl)c2c1 Show InChI InChI=1S/C19H16ClN3O/c1-12-19(13(2)24-22-12)14-7-8-17-18(9-14)23(11-21-17)10-15-5-3-4-6-16(15)20/h3-9,11H,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay				Medchemcomm 4: 140-144 (2013) Article DOI: 10.1039/c2md20189e BindingDB Entry DOI: 10.7270/Q2RX9G1D
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273627 (CHEMBL4130114) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1cccc(F)c1 Show InChI InChI=1S/C18H16FNO3/c1-10-17(11(2)23-20-10)13-6-14(9-16(21)8-13)18(22)12-4-3-5-15(19)7-12/h3-9,18,21-22H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair

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