Compile Data Set for Download or QSAR

Found 94 hits Enz. Inhib. hit(s) with all data for entry = 50000746   

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))	BDBM50260067 (CHEMBL4078267 | US9957263, Example 78) Show SMILES CC(=O)Nc1ccc(CNc2cccc(Oc3ccc(cc3-c3cn(C)c(=O)c4[nH]ccc34)S(C)(=O)=O)c2)cc1 Show InChI InChI=1S/C30H28N4O5S/c1-19(35)33-21-9-7-20(8-10-21)17-32-22-5-4-6-23(15-22)39-28-12-11-24(40(3,37)38)16-26(28)27-18-34(2)30(36)29-25(27)13-14-31-29/h4-16,18,31-32H,17H2,1-3H3,(H,33,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 bromodomain 2 (E352 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260083 (CHEMBL4104956) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]c(cc12)C#CCOC Show InChI InChI=1S/C26H23F2N3O5S/c1-4-37(33,34)30-18-8-10-23(36-24-9-7-16(27)12-22(24)28)19(14-18)21-15-31(2)26(32)25-20(21)13-17(29-25)6-5-11-35-3/h7-10,12-15,29-30H,4,11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 bromodomain 2 (E352 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260067 (CHEMBL4078267 | US9957263, Example 78) Show SMILES CC(=O)Nc1ccc(CNc2cccc(Oc3ccc(cc3-c3cn(C)c(=O)c4[nH]ccc34)S(C)(=O)=O)c2)cc1 Show InChI InChI=1S/C30H28N4O5S/c1-19(35)33-21-9-7-20(8-10-21)17-32-22-5-4-6-23(15-22)39-28-12-11-24(40(3,37)38)16-26(28)27-18-34(2)30(36)29-25(27)13-14-31-29/h4-16,18,31-32H,17H2,1-3H3,(H,33,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 bromodomain 1 (K57 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260084 (CHEMBL4096313 | US9957263, Example 110) Show SMILES Cn1cc(-c2cc(ccc2N[C@H]2CC[C@@H](CC2)NCc2ccc3ccccc3c2)S(C)(=O)=O)c2cc[nH]c2c1=O |r,wU:11.11,wD:14.18,(58.54,-.63,;59.88,-1.39,;59.89,-2.94,;61.23,-3.69,;61.24,-5.24,;62.58,-5.99,;62.59,-7.54,;61.25,-8.32,;59.92,-7.55,;59.92,-6.02,;58.58,-5.25,;57.25,-6.03,;57.26,-7.56,;55.92,-8.34,;54.58,-7.57,;54.58,-6.03,;55.91,-5.26,;53.25,-8.34,;51.91,-7.57,;50.58,-8.34,;50.58,-9.87,;49.25,-10.64,;47.91,-9.87,;46.58,-10.64,;45.25,-9.88,;45.25,-8.33,;46.58,-7.56,;47.91,-8.33,;49.24,-7.56,;63.93,-8.31,;63.93,-9.85,;64.69,-6.97,;65.47,-8.3,;62.55,-2.91,;64.01,-3.38,;64.9,-2.14,;64,-.9,;62.55,-1.38,;61.21,-.61,;61.2,.94,)| Show InChI InChI=1S/C32H34N4O3S/c1-36-20-29(27-15-16-33-31(27)32(36)37)28-18-26(40(2,38)39)13-14-30(28)35-25-11-9-24(10-12-25)34-19-21-7-8-22-5-3-4-6-23(22)17-21/h3-8,13-18,20,24-25,33-35H,9-12,19H2,1-2H3/t24-,25-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 bromodomain 1 (K57 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260065 (CHEMBL4088597 | US9957263, Example 63) Show SMILES CCS(=O)(=O)c1ccc(OCC2CC2(F)F)c(c1)-c1cn(C)c(=O)c2[nH]c(cc12)C#CCN(C)C Show InChI InChI=1S/C25H27F2N3O4S/c1-5-35(32,33)18-8-9-22(34-15-16-13-25(16,26)27)19(12-18)21-14-30(4)24(31)23-20(21)11-17(28-23)7-6-10-29(2)3/h8-9,11-12,14,16,28H,5,10,13,15H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 bromodomain 1 (K57 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260065 (CHEMBL4088597 | US9957263, Example 63) Show SMILES CCS(=O)(=O)c1ccc(OCC2CC2(F)F)c(c1)-c1cn(C)c(=O)c2[nH]c(cc12)C#CCN(C)C Show InChI InChI=1S/C25H27F2N3O4S/c1-5-35(32,33)18-8-9-22(34-15-16-13-25(16,26)27)19(12-18)21-14-30(4)24(31)23-20(21)11-17(28-23)7-6-10-29(2)3/h8-9,11-12,14,16,28H,5,10,13,15H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 bromodomain 1 (K57 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260083 (CHEMBL4104956) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]c(cc12)C#CCOC Show InChI InChI=1S/C26H23F2N3O5S/c1-4-37(33,34)30-18-8-10-23(36-24-9-7-16(27)12-22(24)28)19(14-18)21-15-31(2)26(32)25-20(21)13-17(29-25)6-5-11-35-3/h7-10,12-15,29-30H,4,11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 bromodomain 1 (K57 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260066 (CHEMBL4067346 | US9957263, Example 4) Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1CN1CCOCC1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C27H28F2N4O5S/c1-3-39(35,36)31-23-14-20(21-16-32(2)27(34)26-19(21)6-7-30-26)25(38-24-5-4-18(28)13-22(24)29)12-17(23)15-33-8-10-37-11-9-33/h4-7,12-14,16,30-31H,3,8-11,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 bromodomain 2 (E352 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260068 (CHEMBL4075943 | US9957263, Example 39) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc(Oc2ccc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)c1 Show InChI InChI=1S/C28H25N3O7S2/c1-31-17-25(23-13-14-29-27(23)28(31)32)24-16-22(39(3,33)34)11-12-26(24)38-20-6-4-5-18(15-20)30-40(35,36)21-9-7-19(37-2)8-10-21/h4-17,29-30H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 bromodomain 2 (E352 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260084 (CHEMBL4096313 | US9957263, Example 110) Show SMILES Cn1cc(-c2cc(ccc2N[C@H]2CC[C@@H](CC2)NCc2ccc3ccccc3c2)S(C)(=O)=O)c2cc[nH]c2c1=O |r,wU:11.11,wD:14.18,(58.54,-.63,;59.88,-1.39,;59.89,-2.94,;61.23,-3.69,;61.24,-5.24,;62.58,-5.99,;62.59,-7.54,;61.25,-8.32,;59.92,-7.55,;59.92,-6.02,;58.58,-5.25,;57.25,-6.03,;57.26,-7.56,;55.92,-8.34,;54.58,-7.57,;54.58,-6.03,;55.91,-5.26,;53.25,-8.34,;51.91,-7.57,;50.58,-8.34,;50.58,-9.87,;49.25,-10.64,;47.91,-9.87,;46.58,-10.64,;45.25,-9.88,;45.25,-8.33,;46.58,-7.56,;47.91,-8.33,;49.24,-7.56,;63.93,-8.31,;63.93,-9.85,;64.69,-6.97,;65.47,-8.3,;62.55,-2.91,;64.01,-3.38,;64.9,-2.14,;64,-.9,;62.55,-1.38,;61.21,-.61,;61.2,.94,)| Show InChI InChI=1S/C32H34N4O3S/c1-36-20-29(27-15-16-33-31(27)32(36)37)28-18-26(40(2,38)39)13-14-30(28)35-25-11-9-24(10-12-25)34-19-21-7-8-22-5-3-4-6-23(22)17-21/h3-8,13-18,20,24-25,33-35H,9-12,19H2,1-2H3/t24-,25-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 bromodomain 2 (E352 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260068 (CHEMBL4075943 | US9957263, Example 39) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc(Oc2ccc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)c1 Show InChI InChI=1S/C28H25N3O7S2/c1-31-17-25(23-13-14-29-27(23)28(31)32)24-16-22(39(3,33)34)11-12-26(24)38-20-6-4-5-18(15-20)30-40(35,36)21-9-7-19(37-2)8-10-21/h4-17,29-30H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 bromodomain 1 (K57 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260066 (CHEMBL4067346 | US9957263, Example 4) Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1CN1CCOCC1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C27H28F2N4O5S/c1-3-39(35,36)31-23-14-20(21-16-32(2)27(34)26-19(21)6-7-30-26)25(38-24-5-4-18(28)13-22(24)29)12-17(23)15-33-8-10-37-11-9-33/h4-7,12-14,16,30-31H,3,8-11,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 bromodomain 1 (K57 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM342597 (N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...) Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1 Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 bromodomain 1 (K57 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260082 (CHEMBL4075159) Show SMILES Cc1[nH]c(cc1C(N)=O)-c1ccccc1NC1CCCCC1F Show InChI InChI=1S/C18H22FN3O/c1-11-13(18(20)23)10-17(21-11)12-6-2-4-8-15(12)22-16-9-5-3-7-14(16)19/h2,4,6,8,10,14,16,21-22H,3,5,7,9H2,1H3,(H2,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 bromodomain 1 (K57 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM342597 (N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...) Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1 Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 bromodomain 2 (E352 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260082 (CHEMBL4075159) Show SMILES Cc1[nH]c(cc1C(N)=O)-c1ccccc1NC1CCCCC1F Show InChI InChI=1S/C18H22FN3O/c1-11-13(18(20)23)10-17(21-11)12-6-2-4-8-15(12)22-16-9-5-3-7-14(16)19/h2,4,6,8,10,14,16,21-22H,3,5,7,9H2,1H3,(H2,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	225	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 bromodomain 2 (E352 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260101 (CHEMBL4068487 | US10689390, Compound 38 | US113193...) Show SMILES CCNC(=O)CC1N=C(c2cc(OC)ccc2-c2cn(C)c(=O)cc12)c1c(F)cccc1F |c:7| Show InChI InChI=1S/C25H23F2N3O3/c1-4-28-22(31)12-21-16-11-23(32)30(2)13-18(16)15-9-8-14(33-3)10-17(15)25(29-21)24-19(26)6-5-7-20(24)27/h5-11,13,21H,4,12H2,1-3H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of BRD4 bromodomain 1 (unknown origin) using biotinylated substrate after 1 hr by AlphaLisa assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM25121 (4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PLK1 (1 to 603 residues) expressed in baculovirus expression system using casein as substrate a...				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260099 (CHEMBL4075567) Show SMILES CCS(=O)(=O)c1ccc2Oc3ccc(Cl)cc3CCCCOc3cc(=O)n(C)cc3-c2c1 Show InChI InChI=1S/C24H24ClNO5S/c1-3-32(28,29)18-8-10-22-19(13-18)20-15-26(2)24(27)14-23(20)30-11-5-4-6-16-12-17(25)7-9-21(16)31-22/h7-10,12-15H,3-6,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged BRD4 (unknown origin) using biotinylated acetyl-histone H4 as substrate by AlphaLisa assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260074 (CHEMBL4105618) Show SMILES CCS(=O)(=O)c1ccc2Oc3c(F)cc(F)cc3CCCCOc3cc(=O)n(C)cc3-c2c1 Show InChI InChI=1S/C24H23F2NO5S/c1-3-33(29,30)17-7-8-21-18(12-17)19-14-27(2)23(28)13-22(19)31-9-5-4-6-15-10-16(25)11-20(26)24(15)32-21/h7-8,10-14H,3-6,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged BRD4 (unknown origin) using biotinylated acetyl-histone H4 as substrate by AlphaLisa assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260078 (CHEMBL4095826 | US10689390, Compound 26 | US113193...) Show SMILES CCNC(=O)CC1N=C(C2CCCCC2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7| Show InChI InChI=1S/C25H31N3O3/c1-4-26-23(29)14-22-19-13-24(30)28(2)15-21(19)18-11-10-17(31-3)12-20(18)25(27-22)16-8-6-5-7-9-16/h10-13,15-16,22H,4-9,14H2,1-3H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of BRD4 bromodomain 1 (unknown origin) using biotinylated substrate after 1 hr by AlphaLisa assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260073 (CHEMBL4086168) Show SMILES CCN1C(=O)C(C)(C)c2cc3nc(-c4cc(C)c(=O)n(C)c4)n([C@@H](C)c4ccccc4)c3cc12 |r| Show InChI InChI=1S/C28H30N4O2/c1-7-31-23-15-24-22(14-21(23)28(4,5)27(31)34)29-25(20-13-17(2)26(33)30(6)16-20)32(24)18(3)19-11-9-8-10-12-19/h8-16,18H,7H2,1-6H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of GST-tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) using biotinylated acetyl-histone H4 peptide as substrate after 30 ...				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM245884 (US9428514, 72) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(CC1CC1)S(=O)(=O)CC Show InChI InChI=1S/C26H28F2N2O5S/c1-4-34-25-14-26(31)29(3)16-21(25)20-13-19(30(15-17-6-7-17)36(32,33)5-2)9-11-23(20)35-24-10-8-18(27)12-22(24)28/h8-14,16-17H,4-7,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged BRD4 bromodomain 2 (E352 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260080 (CHEMBL4088097 | US10689390, Compound 14 | US113193...) Show SMILES CCOC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7| Show InChI InChI=1S/C25H23ClN2O4/c1-4-32-24(30)13-22-19-12-23(29)28(2)14-21(19)18-10-9-17(31-3)11-20(18)25(27-22)15-5-7-16(26)8-6-15/h5-12,14,22H,4,13H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of BRD4 bromodomain 1 (unknown origin) using biotinylated substrate after 1 hr by AlphaLisa assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260095 (CHEMBL4077359) Show SMILES CC1=C(C)C2C(S1)n1c(C)nnc1[C@H](CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@@H]1N=C(c3c(C)c(C)sc3-n3c(C)nnc13)c1ccc(Cl)cc1)N=C2c1ccc(Cl)cc1 |r,c:1,48,74| Show InChI InChI=1S/C54H68Cl2N10O9S2/c1-33-35(3)76-53-47(33)49(39-7-11-41(55)12-8-39)59-43(51-63-61-37(5)65(51)53)31-45(67)57-15-17-69-19-21-71-23-25-73-27-29-75-30-28-74-26-24-72-22-20-70-18-16-58-46(68)32-44-52-64-62-38(6)66(52)54-48(34(2)36(4)77-54)50(60-44)40-9-13-42(56)14-10-40/h7-14,43-44,47,53H,15-32H2,1-6H3,(H,57,67)(H,58,68)/t43-,44-,47?,53?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged BRD4 bromodomain 1 (44 to 168 residues) expressed in Escherichia coli BL21(DE3) after 30 mins by AlphaScre...				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					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	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Displacement of Halo-tagged histone H3.3 from NanoLuc-tagged full length BRD4 (unknown origin) expressed in HCT116 cells after 18 hrs by NanoBRET ass...				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM297162 (2-{6-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-27(35(4)34-33-18)21-16-24-26(32-17-21)22-10-11-23(30(2,3)37)25(31)29(22)36(24)28(19-8-6-5-7-9-19)20-12-14-38-15-13-20/h5-11,16-17,20,28,37H,12-15H2,1-4H3/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) using biotinylated histone peptide ...				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260098 (CHEMBL4082119) Show SMILES C[C@@H](c1ccccc1)n1c(nc2cc3c(C)nn(C)c3cc12)-c1cc(C)c(=O)n(C)c1 |r| Show InChI InChI=1S/C25H25N5O/c1-15-11-19(14-28(4)25(15)31)24-26-21-12-20-16(2)27-29(5)22(20)13-23(21)30(24)17(3)18-9-7-6-8-10-18/h6-14,17H,1-5H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of GST-tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) using biotinylated acetyl-histone H4 peptide as substrate after 30 ...				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260092 (CHEMBL4076638) Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCC(F)(F)CC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C31H33F2N5O/c1-19-28(37(4)36-35-19)22-16-26-27(34-18-22)24-11-10-23(30(2,3)39)17-25(24)38(26)29(20-8-6-5-7-9-20)21-12-14-31(32,33)15-13-21/h5-11,16-18,21,29,39H,12-15H2,1-4H3/t29-/m1/s1/i1D3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) using biotinylated histone peptide ...				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM297162 (2-{6-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-27(35(4)34-33-18)21-16-24-26(32-17-21)22-10-11-23(30(2,3)37)25(31)29(22)36(24)28(19-8-6-5-7-9-19)20-12-14-38-15-13-20/h5-11,16-17,20,28,37H,12-15H2,1-4H3/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) using biotinylated histone peptide ...				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM192755 (TG101209 | US11279703, TABLE 6.171 | US11643396, E...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1 Show InChI InChI=1S/C26H35N7O2S/c1-19-18-27-25(29-20-9-11-22(12-10-20)33-15-13-32(5)14-16-33)30-24(19)28-21-7-6-8-23(17-21)36(34,35)31-26(2,3)4/h6-12,17-18,31H,13-16H2,1-5H3,(H2,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50156344 (CHEMBL3787210) Show SMILES Cc1noc(C)c1-c1ccc2NC(=O)C(N3CCC[C@H](N)C3)(c3ccsc3)c2c1 |r| Show InChI InChI=1S/C22H24N4O2S/c1-13-20(14(2)28-25-13)15-5-6-19-18(10-15)22(21(27)24-19,16-7-9-29-12-16)26-8-3-4-17(23)11-26/h5-7,9-10,12,17H,3-4,8,11,23H2,1-2H3,(H,24,27)/t17-,22?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged BRD4 (1 to 477 residues) expressed in Escherichia coli using tetra-acetylated histone peptide ...				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260069 (CHEMBL4097251) Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1C(C)CC1CC1)N1CCOC[C@H]1C |r| Show InChI InChI=1S/C26H35N9O/c1-15(2)28-24-26-32-31-18(5)34(26)13-21(29-24)25-30-20-12-27-23(33-8-9-36-14-17(33)4)11-22(20)35(25)16(3)10-19-6-7-19/h11-13,15-17,19H,6-10,14H2,1-5H3,(H,28,29)/t16?,17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of GST-tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) using biotinylated acetyl-histone H4 peptide as substrate after 30 ...				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260096 (CHEMBL4087197) Show SMILES CNC(=O)N1N=C(c2ccc(cc2)N2CC3(CCS3(=O)=O)C2)c2cc(OC(F)(F)F)ccc2C[C@@H]1C |r,t:5| Show InChI InChI=1S/C24H25F3N4O4S/c1-15-11-17-5-8-19(35-24(25,26)27)12-20(17)21(29-31(15)22(32)28-2)16-3-6-18(7-4-16)30-13-23(14-30)9-10-36(23,33)34/h3-8,12,15H,9-11,13-14H2,1-2H3,(H,28,32)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged BRD4 bromodomain 1 (67 to 152 residues) expressed in Escherichia coli preincubated for 10 mins...				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260085 (CHEMBL4103582) Show SMILES CNC(=O)N1N=C(c2ccc(cc2)N2CC3(CCS3(=O)=O)C2)c2cc(ccc2C[C@@H]1C)-n1nc(C)cc1C |r,t:5| Show InChI InChI=1S/C28H32N6O3S/c1-18-13-19(2)33(30-18)24-10-7-22-14-20(3)34(27(35)29-4)31-26(25(22)15-24)21-5-8-23(9-6-21)32-16-28(17-32)11-12-38(28,36)37/h5-10,13,15,20H,11-12,14,16-17H2,1-4H3,(H,29,35)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged BRD4 bromodomain 1 (67 to 152 residues) expressed in Escherichia coli preincubated for 10 mins...				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260086 (CHEMBL4079312) Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1ccc(cc1)C1=NN([C@@H](C)Cc3cc(OC)c(OC)cc13)C(=O)NC)O2 |r,t:17| Show InChI InChI=1S/C26H32N4O4/c1-16-11-18-12-23(32-3)24(33-4)13-22(18)25(28-30(16)26(31)27-2)17-5-7-19(8-6-17)29-14-20-9-10-21(15-29)34-20/h5-8,12-13,16,20-21H,9-11,14-15H2,1-4H3,(H,27,31)/t16-,20-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged BRD4 bromodomain 1 (67 to 152 residues) expressed in Escherichia coli preincubated for 10 mins...				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260100 (CHEMBL4099187) Show SMILES COc1cc2c3n([C@H](C)COC(F)F)c(CN4CCOCC4)nc3cnc2cc1-c1c(C)noc1C |r,wU:7.7,(43.08,-38.11,;43.08,-39.65,;44.42,-40.42,;45.75,-39.65,;47.08,-40.41,;48.41,-39.64,;48.71,-38.14,;47.67,-37,;48.13,-35.54,;46.17,-37.34,;45.13,-36.2,;45.53,-34.71,;44.44,-33.63,;47.01,-34.32,;50.24,-37.97,;50.99,-36.63,;52.53,-36.62,;53.3,-37.95,;54.83,-37.94,;55.6,-36.6,;54.82,-35.27,;53.28,-35.27,;50.87,-39.36,;49.74,-40.4,;49.75,-41.95,;48.42,-42.73,;47.08,-41.96,;45.75,-42.74,;44.41,-41.97,;43.09,-42.74,;41.68,-42.11,;41.36,-40.61,;40.65,-43.26,;41.42,-44.59,;42.92,-44.27,;44.07,-45.3,)| Show InChI InChI=1S/C25H29F2N5O4/c1-14(13-35-25(26)27)32-22(12-31-5-7-34-8-6-31)29-20-11-28-19-9-18(23-15(2)30-36-16(23)3)21(33-4)10-17(19)24(20)32/h9-11,14,25H,5-8,12-13H2,1-4H3/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of human BRD4 using acetylated histone H4 peptide as substrate by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM274319 (6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-di methyl-...) Show SMILES COc1ncccc1-c1c(C2CC2)c2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |(5.51,-2.51,;4.74,-1.18,;5.51,.15,;7.05,.15,;7.82,1.49,;7.05,2.82,;5.51,2.82,;4.74,1.49,;3.2,1.49,;2.3,2.73,;2.7,4.22,;3.79,5.31,;2.3,5.71,;.83,2.26,;-.63,2.73,;-1.4,4.07,;-1.54,1.49,;-.63,.24,;.83,.72,;2.3,.24,;3.07,-1.09,;-1.03,-1.25,;.06,-2.33,;-.34,-3.82,;-1.83,-4.22,;-2.23,-5.71,;-2.92,-3.13,;-2.52,-1.64,;-3.08,1.49,;-3.85,2.82,;-5.39,2.82,;-6.16,4.15,;-6.16,1.49,;-7.66,1.17,;-7.82,-.36,;-6.42,-.99,;-6.02,-2.48,;-5.39,.15,;-3.85,.15,)| Show InChI InChI=1S/C30H27ClN6O2/c1-16-14-21(15-36-17(2)33-34-28(16)36)37-25(19-9-11-20(31)12-10-19)27-24(30(37)38)23(18-7-8-18)26(35(27)3)22-6-5-13-32-29(22)39-4/h5-6,9-15,18,25H,7-8H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<11	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 (44 to 477 residues) (unknown origin) using acetyl-histone H4 as substrate after 35 mins by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM150062 (US8975417, 122) Show SMILES Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1 |r| Show InChI InChI=1S/C22H20ClN7O/c1-11-10-17(27-29-13(3)24-25-21(11)29)28-19(14-4-6-15(23)7-5-14)18-12(2)26-30(16-8-9-16)20(18)22(28)31/h4-7,10,16,19H,8-9H2,1-3H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<11	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 (unknown origin) using acetyl-histone H4 as substrate after 35 mins by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM274304 (1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyc...) Show SMILES CC(=O)N1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1 Show InChI InChI=1S/C27H26ClN7O2/c1-14-10-21(29-26-23(14)30-31-32(26)3)35-24(17-6-8-18(28)9-7-17)25-22(27(35)37)20(16-4-5-16)13-34(25)19-11-33(12-19)15(2)36/h6-10,13,16,19,24H,4-5,11-12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<11	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 (44 to 477 residues) (unknown origin) using acetyl-histone H4 as substrate after 35 mins by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM150133 (US8975417, 166) Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(CO)nn(C3CC3)c2C1=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H21ClN6O2/c1-12-9-17(10-28-13(2)25-26-22(12)28)29-20(14-3-5-15(24)6-4-14)19-18(11-31)27-30(16-7-8-16)21(19)23(29)32/h3-6,9-10,16,20,31H,7-8,11H2,1-2H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<11	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 (unknown origin) using acetyl-histone H4 as substrate after 35 mins by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM245853 (US9428514, 41) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)CCc2ccccc2)ccc1Oc1ccc(F)cc1F Show InChI InChI=1S/C29H26F2N2O4/c1-3-36-27-17-29(35)33(2)18-23(27)22-16-21(32-28(34)14-9-19-7-5-4-6-8-19)11-13-25(22)37-26-12-10-20(30)15-24(26)31/h4-8,10-13,15-18H,3,9,14H2,1-2H3,(H,32,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged BRD4 bromodomain 2 (E352 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM274223 (6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...) Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(cn2C1COC1)C1CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H24ClN5O2/c1-14-9-19(10-30-15(2)28-29-25(14)30)32-23(17-5-7-18(27)8-6-17)24-22(26(32)33)21(16-3-4-16)11-31(24)20-12-34-13-20/h5-11,16,20,23H,3-4,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 (44 to 477 residues) (unknown origin) using acetyl-histone H4 as substrate after 35 mins by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM215675 (US9296748, I-11) Show SMILES CN1CCN(CC1)c1ccc2nc(-c3cc(C)c(=O)n(C)n3)n(Cc3ccccc3)c2c1 Show InChI InChI=1S/C25H28N6O/c1-18-15-22(27-29(3)25(18)32)24-26-21-10-9-20(30-13-11-28(2)12-14-30)16-23(21)31(24)17-19-7-5-4-6-8-19/h4-10,15-16H,11-14,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of GST-tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) using biotinylated acetyl-histone H4 peptide as substrate after 30 ...				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260097 (CHEMBL4067492) Show SMILES C[C@@H](c1ccccc1)n1c(nc2ccc(cc12)N1CCOC[C@@H]1C)-c1cc(C)c(=O)n(C)c1 |r| Show InChI InChI=1S/C27H30N4O2/c1-18-14-22(16-29(4)27(18)32)26-28-24-11-10-23(30-12-13-33-17-19(30)2)15-25(24)31(26)20(3)21-8-6-5-7-9-21/h5-11,14-16,19-20H,12-13,17H2,1-4H3/t19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of GST-tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) using biotinylated acetyl-histone H4 peptide as substrate after 30 ...				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260102 (CHEMBL4059589) Show SMILES CN1[C@H](c2cc(ccc2C1=O)-c1c(C)noc1C)c1ccccc1 |r| Show InChI InChI=1S/C20H18N2O2/c1-12-18(13(2)24-21-12)15-9-10-16-17(11-15)19(22(3)20(16)23)14-7-5-4-6-8-14/h4-11,19H,1-3H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of GST-tagged BRD4 (unknown origin) using biotinylated acetyl-histone H4 peptide as substrate after 30 mins by AlphaScreen assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260077 (CHEMBL4065777) Show SMILES COc1cc2c3n([C@H](C)COC(F)F)c(nc3cnc2cc1-c1c(C)noc1C)C1CCOCC1 |r,wU:7.7,(17.04,-37.57,;17.04,-39.11,;18.37,-39.88,;19.7,-39.11,;21.03,-39.88,;22.36,-39.1,;22.66,-37.6,;21.62,-36.47,;22.09,-35,;20.12,-36.8,;19.08,-35.67,;19.48,-34.18,;18.39,-33.09,;20.97,-33.78,;24.19,-37.43,;24.82,-38.82,;23.69,-39.86,;23.7,-41.41,;22.37,-42.19,;21.03,-41.42,;19.7,-42.2,;18.37,-41.43,;17.04,-42.2,;15.63,-41.58,;15.31,-40.07,;14.6,-42.72,;15.37,-44.06,;16.88,-43.74,;18.02,-44.77,;24.94,-36.09,;26.48,-36.08,;27.24,-34.75,;26.46,-33.42,;24.92,-33.43,;24.15,-34.77,)| Show InChI InChI=1S/C25H28F2N4O4/c1-13(12-34-25(26)27)31-23-17-10-21(32-4)18(22-14(2)30-35-15(22)3)9-19(17)28-11-20(23)29-24(31)16-5-7-33-8-6-16/h9-11,13,16,25H,5-8,12H2,1-4H3/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of human full length BRD4 using acetylated histone H4 peptide as substrate by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM150102 (US8975417, 170) Show SMILES CCn1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1F Show InChI InChI=1S/C21H20ClFN4O2/c1-5-26-19-17(12(3)24-26)18(15-7-6-13(22)9-16(15)23)27(21(19)29)14-8-11(2)20(28)25(4)10-14/h6-10,18H,5H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of His-tagged BRD4 (unknown origin) using acetyl-histone H4 as substrate after 35 mins by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260070 (CHEMBL4080729) Show SMILES COC[C@@H](C)n1c(nc2cc3c(cc12)N(C(C)C)S(=O)(=O)C3(C)C)-c1cn2c(C)nnc2c(NC(C)C)n1 |r| Show InChI InChI=1S/C26H36N8O3S/c1-14(2)27-23-25-31-30-17(6)32(25)12-20(28-23)24-29-19-10-18-21(11-22(19)33(24)16(5)13-37-9)34(15(3)4)38(35,36)26(18,7)8/h10-12,14-16H,13H2,1-9H3,(H,27,28)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of GST-tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) using biotinylated acetyl-histone H4 peptide as substrate after 30 ...				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260076 (CHEMBL4072227) Show SMILES COc1cc2c3n([C@H](C)COC(F)F)c(nc3cnc2cc1-c1c(C)noc1C)C1CCC(F)(F)CC1 |r,wU:7.7,(29.46,-38.1,;29.46,-39.64,;30.79,-40.41,;32.12,-39.64,;33.45,-40.41,;34.78,-39.63,;35.09,-38.13,;34.05,-37,;34.51,-35.53,;32.54,-37.33,;31.5,-36.19,;31.9,-34.71,;30.81,-33.62,;33.39,-34.31,;36.61,-37.96,;37.24,-39.35,;36.11,-40.39,;36.13,-41.94,;34.79,-42.72,;33.46,-41.95,;32.12,-42.73,;30.79,-41.96,;29.46,-42.73,;28.05,-42.11,;27.73,-40.6,;27.02,-43.25,;27.79,-44.58,;29.3,-44.26,;30.44,-45.3,;37.36,-36.62,;38.9,-36.61,;39.66,-35.28,;38.88,-33.94,;38.87,-32.4,;40.21,-33.17,;37.34,-33.96,;36.58,-35.3,)| Show InChI InChI=1S/C26H28F4N4O3/c1-13(12-36-25(27)28)34-23-17-10-21(35-4)18(22-14(2)33-37-15(22)3)9-19(17)31-11-20(23)32-24(34)16-5-7-26(29,30)8-6-16/h9-11,13,16,25H,5-8,12H2,1-4H3/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me Curated by ChEMBL					Assay Description Inhibition of human BRD4 using acetylated histone H4 peptide as substrate by TR-FRET assay				J Med Chem 60: 4533-4558 (2017) Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ
					More data for this Ligand-Target Pair

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