Compile Data Set for Download or QSAR

Found 215 hits with Last Name = 'willis' and Initial = 'r'   

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
Adenosine kinase (Homo sapiens (Human))	BDBM50100587 ((2R,3R,4S,5R)-2-(6-Amino-5-nitro-pyrimidin-4-ylami...) Show SMILES Nc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N+]([O-])=O Show InChI InChI=1S/C9H13N5O6/c10-7-4(14(18)19)8(12-2-11-7)13-9-6(17)5(16)3(1-15)20-9/h2-3,5-6,9,15-17H,1H2,(H3,10,11,12,13)/t3-,5-,6-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nucleic Acid Research Institute Curated by ChEMBL					Assay Description Inhibition of adenosine kinase from undialyzed W1-L2 lysate (0-50 uM)				J Med Chem 31: 786-90 (1988) Checked by Author BindingDB Entry DOI: 10.7270/Q20R9PZF
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50227263 (CHEMBL2021376) Show SMILES Nc1nc2c(O)nc(N)nc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H14N6O5/c11-9-14-6-3(7(20)15-9)13-10(12)16(6)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H2,12,13)(H3,11,14,15,20)/t2-,4-,5-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nucleic Acid Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against purine nucleoside phosphorylase (PNPase )				J Med Chem 31: 330-5 (1988) BindingDB Entry DOI: 10.7270/Q25H7GV0
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50022506 (5-Amino-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydr...) Show SMILES NC(=N)c1nc(N)n(n1)C1OC(CO)C(O)[C@@H]1O Show InChI InChI=1S/C8H14N6O4/c9-5(10)6-12-8(11)14(13-6)7-4(17)3(16)2(1-15)18-7/h2-4,7,15-17H,1H2,(H3,9,10)(H2,11,12,13)/t2?,3?,4-,7?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nucleic Acid Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against purine nucleoside phosphorylase (PNPase )				J Med Chem 31: 330-5 (1988) BindingDB Entry DOI: 10.7270/Q25H7GV0
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50148603 (CHEMBL3770724) Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12 Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Binding affinity to BRD4 BD1 (unknown origin) by fluorescence anisotropy competition binding assay				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50148603 (CHEMBL3770724) Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12 Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Binding affinity to BRD2 BD1 (unknown origin) by fluorescence anisotropy competition binding assay				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50148603 (CHEMBL3770724) Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12 Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Binding affinity to BRD3 BD1 (unknown origin) by fluorescence anisotropy competition binding assay				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50367673 (CHEMBL608050) Show SMILES C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc(n1)C(N)=N |r| Show InChI InChI=1S/C8H13N5O3/c1-3-4(14)5(15)8(16-3)13-2-11-7(12-13)6(9)10/h2-5,8,14-15H,1H3,(H3,9,10)/t3-,4-,5-,8?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nucleic Acid Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against purine nucleoside phosphorylase (PNPase )				J Med Chem 31: 330-5 (1988) BindingDB Entry DOI: 10.7270/Q25H7GV0
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50022505 (1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-...) Show SMILES NC(=N)c1ncn(n1)C1OC(CO)C(O)[C@@H]1O Show InChI InChI=1S/C8H13N5O4/c9-6(10)7-11-2-13(12-7)8-5(16)4(15)3(1-14)17-8/h2-5,8,14-16H,1H2,(H3,9,10)/t3?,4?,5-,8?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nucleic Acid Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against purine nucleoside phosphorylase (PNPase )				J Med Chem 31: 330-5 (1988) BindingDB Entry DOI: 10.7270/Q25H7GV0
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50367674 (CHEMBL611275) Show SMILES C[C@H]1OC([C@H](O)[C@@H]1O)n1nc(nc1N)C(N)=N |r| Show InChI InChI=1S/C8H14N6O3/c1-2-3(15)4(16)7(17-2)14-8(11)12-6(13-14)5(9)10/h2-4,7,15-16H,1H3,(H3,9,10)(H2,11,12,13)/t2-,3-,4-,7?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nucleic Acid Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against purine nucleoside phosphorylase (PNPase )				J Med Chem 31: 330-5 (1988) BindingDB Entry DOI: 10.7270/Q25H7GV0
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50225889 (CHEMBL3144008) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1=NNC2C1=NC=NC2=O |r,c:17,t:10,15| Show InChI InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,6-9,14-17H,1H2/t3-,6?,7-,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nucleic Acid Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against purine nucleoside phosphorylase (PNPase )				J Med Chem 31: 330-5 (1988) BindingDB Entry DOI: 10.7270/Q25H7GV0
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50544616 (CHEMBL4635329) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccc1 |r,wD:25.29,(48.14,-4.72,;47.37,-6.05,;45.83,-6.06,;45.07,-7.39,;45.69,-8.79,;44.56,-9.82,;44.57,-11.37,;43.24,-12.14,;41.9,-11.38,;40.57,-12.15,;39.24,-11.38,;37.9,-12.15,;36.5,-11.52,;36.18,-10.01,;35.46,-12.66,;36.23,-14,;37.74,-13.68,;38.88,-14.71,;39.24,-9.84,;37.9,-9.07,;37.9,-7.53,;40.57,-9.07,;41.9,-9.83,;43.23,-9.06,;43.54,-7.56,;42.51,-6.42,;41,-6.74,;42.98,-4.95,;44.48,-4.64,;44.95,-3.17,;43.92,-2.03,;42.41,-2.36,;41.94,-3.83,)| Show InChI InChI=1S/C26H26N4O3/c1-15-25(17(3)33-29-15)20-11-21-19(12-23(20)32-5)26-22(13-27-21)28-24(14-31-4)30(26)16(2)18-9-7-6-8-10-18/h6-13,16H,14H2,1-5H3/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD3 BD1 (1 to 435 residues)/BD2 Y348A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544616 (CHEMBL4635329) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccc1 |r,wD:25.29,(48.14,-4.72,;47.37,-6.05,;45.83,-6.06,;45.07,-7.39,;45.69,-8.79,;44.56,-9.82,;44.57,-11.37,;43.24,-12.14,;41.9,-11.38,;40.57,-12.15,;39.24,-11.38,;37.9,-12.15,;36.5,-11.52,;36.18,-10.01,;35.46,-12.66,;36.23,-14,;37.74,-13.68,;38.88,-14.71,;39.24,-9.84,;37.9,-9.07,;37.9,-7.53,;40.57,-9.07,;41.9,-9.83,;43.23,-9.06,;43.54,-7.56,;42.51,-6.42,;41,-6.74,;42.98,-4.95,;44.48,-4.64,;44.95,-3.17,;43.92,-2.03,;42.41,-2.36,;41.94,-3.83,)| Show InChI InChI=1S/C26H26N4O3/c1-15-25(17(3)33-29-15)20-11-21-19(12-23(20)32-5)26-22(13-27-21)28-24(14-31-4)30(26)16(2)18-9-7-6-8-10-18/h6-13,16H,14H2,1-5H3/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50544616 (CHEMBL4635329) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccc1 |r,wD:25.29,(48.14,-4.72,;47.37,-6.05,;45.83,-6.06,;45.07,-7.39,;45.69,-8.79,;44.56,-9.82,;44.57,-11.37,;43.24,-12.14,;41.9,-11.38,;40.57,-12.15,;39.24,-11.38,;37.9,-12.15,;36.5,-11.52,;36.18,-10.01,;35.46,-12.66,;36.23,-14,;37.74,-13.68,;38.88,-14.71,;39.24,-9.84,;37.9,-9.07,;37.9,-7.53,;40.57,-9.07,;41.9,-9.83,;43.23,-9.06,;43.54,-7.56,;42.51,-6.42,;41,-6.74,;42.98,-4.95,;44.48,-4.64,;44.95,-3.17,;43.92,-2.03,;42.41,-2.36,;41.94,-3.83,)| Show InChI InChI=1S/C26H26N4O3/c1-15-25(17(3)33-29-15)20-11-21-19(12-23(20)32-5)26-22(13-27-21)28-24(14-31-4)30(26)16(2)18-9-7-6-8-10-18/h6-13,16H,14H2,1-5H3/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD2 BD1 (1 to 473 residues)/BD2 Y386A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50544616 (CHEMBL4635329) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccc1 |r,wD:25.29,(48.14,-4.72,;47.37,-6.05,;45.83,-6.06,;45.07,-7.39,;45.69,-8.79,;44.56,-9.82,;44.57,-11.37,;43.24,-12.14,;41.9,-11.38,;40.57,-12.15,;39.24,-11.38,;37.9,-12.15,;36.5,-11.52,;36.18,-10.01,;35.46,-12.66,;36.23,-14,;37.74,-13.68,;38.88,-14.71,;39.24,-9.84,;37.9,-9.07,;37.9,-7.53,;40.57,-9.07,;41.9,-9.83,;43.23,-9.06,;43.54,-7.56,;42.51,-6.42,;41,-6.74,;42.98,-4.95,;44.48,-4.64,;44.95,-3.17,;43.92,-2.03,;42.41,-2.36,;41.94,-3.83,)| Show InChI InChI=1S/C26H26N4O3/c1-15-25(17(3)33-29-15)20-11-21-19(12-23(20)32-5)26-22(13-27-21)28-24(14-31-4)30(26)16(2)18-9-7-6-8-10-18/h6-13,16H,14H2,1-5H3/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD3 BD2 (1 to 435 residues)/BD1 Y73A mutant expressed in Escheri...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50048468 (2-(4-Hydroxy-3-methoxy-phenyl)-5-(3-hydroxy-propyl...) Show SMILES COc1cc(ccc1O)-c1oc2c(OC)cc(CCCO)cc2c1C=O Show InChI InChI=1S/C20H20O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-11,21,23H,3-4,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonistic activity against adenosine A1 receptor				Bioorg Med Chem Lett 2: 1631-1634 (1992) Article DOI: 10.1016/S0960-894X(00)80445-X BindingDB Entry DOI: 10.7270/Q2Z60P0N
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50544616 (CHEMBL4635329) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccc1 |r,wD:25.29,(48.14,-4.72,;47.37,-6.05,;45.83,-6.06,;45.07,-7.39,;45.69,-8.79,;44.56,-9.82,;44.57,-11.37,;43.24,-12.14,;41.9,-11.38,;40.57,-12.15,;39.24,-11.38,;37.9,-12.15,;36.5,-11.52,;36.18,-10.01,;35.46,-12.66,;36.23,-14,;37.74,-13.68,;38.88,-14.71,;39.24,-9.84,;37.9,-9.07,;37.9,-7.53,;40.57,-9.07,;41.9,-9.83,;43.23,-9.06,;43.54,-7.56,;42.51,-6.42,;41,-6.74,;42.98,-4.95,;44.48,-4.64,;44.95,-3.17,;43.92,-2.03,;42.41,-2.36,;41.94,-3.83,)| Show InChI InChI=1S/C26H26N4O3/c1-15-25(17(3)33-29-15)20-11-21-19(12-23(20)32-5)26-22(13-27-21)28-24(14-31-4)30(26)16(2)18-9-7-6-8-10-18/h6-13,16H,14H2,1-5H3/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRDT BD1 (1 to 397 residues)/BD2 Y309A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					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	25	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 3 (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	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD3 BD1 (1 to 435 residues)/BD2 Y348A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544616 (CHEMBL4635329) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccc1 |r,wD:25.29,(48.14,-4.72,;47.37,-6.05,;45.83,-6.06,;45.07,-7.39,;45.69,-8.79,;44.56,-9.82,;44.57,-11.37,;43.24,-12.14,;41.9,-11.38,;40.57,-12.15,;39.24,-11.38,;37.9,-12.15,;36.5,-11.52,;36.18,-10.01,;35.46,-12.66,;36.23,-14,;37.74,-13.68,;38.88,-14.71,;39.24,-9.84,;37.9,-9.07,;37.9,-7.53,;40.57,-9.07,;41.9,-9.83,;43.23,-9.06,;43.54,-7.56,;42.51,-6.42,;41,-6.74,;42.98,-4.95,;44.48,-4.64,;44.95,-3.17,;43.92,-2.03,;42.41,-2.36,;41.94,-3.83,)| Show InChI InChI=1S/C26H26N4O3/c1-15-25(17(3)33-29-15)20-11-21-19(12-23(20)32-5)26-22(13-27-21)28-24(14-31-4)30(26)16(2)18-9-7-6-8-10-18/h6-13,16H,14H2,1-5H3/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant expressed in Escheri...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544597 (GSK778) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC[C@H]4CCNC4)cc3c2n1[C@H](C)c1ccccc1 |r,wU:21.21,wD:30.35,(16.67,-5.18,;15.91,-6.52,;14.37,-6.52,;13.6,-7.86,;14.23,-9.26,;13.1,-10.29,;13.11,-11.84,;11.78,-12.61,;10.44,-11.84,;9.11,-12.62,;7.77,-11.85,;6.44,-12.61,;5.03,-11.99,;4.71,-10.48,;4,-13.13,;4.77,-14.47,;6.28,-14.15,;7.42,-15.18,;7.78,-10.31,;6.44,-9.54,;6.44,-8,;5.11,-7.23,;3.71,-7.86,;2.68,-6.71,;3.45,-5.38,;4.95,-5.7,;9.1,-9.54,;10.44,-10.3,;11.77,-9.53,;12.08,-8.03,;11.05,-6.88,;9.54,-7.21,;11.52,-5.42,;13.02,-5.1,;13.49,-3.64,;12.46,-2.5,;10.95,-2.83,;10.48,-4.29,)| Show InChI InChI=1S/C30H33N5O3/c1-18-29(20(3)38-34-18)24-12-25-23(13-27(24)37-16-21-10-11-31-14-21)30-26(15-32-25)33-28(17-36-4)35(30)19(2)22-8-6-5-7-9-22/h5-9,12-13,15,19,21,31H,10-11,14,16-17H2,1-4H3/t19-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50544616 (CHEMBL4635329) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccc1 |r,wD:25.29,(48.14,-4.72,;47.37,-6.05,;45.83,-6.06,;45.07,-7.39,;45.69,-8.79,;44.56,-9.82,;44.57,-11.37,;43.24,-12.14,;41.9,-11.38,;40.57,-12.15,;39.24,-11.38,;37.9,-12.15,;36.5,-11.52,;36.18,-10.01,;35.46,-12.66,;36.23,-14,;37.74,-13.68,;38.88,-14.71,;39.24,-9.84,;37.9,-9.07,;37.9,-7.53,;40.57,-9.07,;41.9,-9.83,;43.23,-9.06,;43.54,-7.56,;42.51,-6.42,;41,-6.74,;42.98,-4.95,;44.48,-4.64,;44.95,-3.17,;43.92,-2.03,;42.41,-2.36,;41.94,-3.83,)| Show InChI InChI=1S/C26H26N4O3/c1-15-25(17(3)33-29-15)20-11-21-19(12-23(20)32-5)26-22(13-27-21)28-24(14-31-4)30(26)16(2)18-9-7-6-8-10-18/h6-13,16H,14H2,1-5H3/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD2 BD2 (1 to 473 residues)/BD1 Y113A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50544597 (GSK778) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC[C@H]4CCNC4)cc3c2n1[C@H](C)c1ccccc1 |r,wU:21.21,wD:30.35,(16.67,-5.18,;15.91,-6.52,;14.37,-6.52,;13.6,-7.86,;14.23,-9.26,;13.1,-10.29,;13.11,-11.84,;11.78,-12.61,;10.44,-11.84,;9.11,-12.62,;7.77,-11.85,;6.44,-12.61,;5.03,-11.99,;4.71,-10.48,;4,-13.13,;4.77,-14.47,;6.28,-14.15,;7.42,-15.18,;7.78,-10.31,;6.44,-9.54,;6.44,-8,;5.11,-7.23,;3.71,-7.86,;2.68,-6.71,;3.45,-5.38,;4.95,-5.7,;9.1,-9.54,;10.44,-10.3,;11.77,-9.53,;12.08,-8.03,;11.05,-6.88,;9.54,-7.21,;11.52,-5.42,;13.02,-5.1,;13.49,-3.64,;12.46,-2.5,;10.95,-2.83,;10.48,-4.29,)| Show InChI InChI=1S/C30H33N5O3/c1-18-29(20(3)38-34-18)24-12-25-23(13-27(24)37-16-21-10-11-31-14-21)30-26(15-32-25)33-28(17-36-4)35(30)19(2)22-8-6-5-7-9-22/h5-9,12-13,15,19,21,31H,10-11,14,16-17H2,1-4H3/t19-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD3 BD1 (1 to 435 residues)/BD2 Y348A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544597 (GSK778) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC[C@H]4CCNC4)cc3c2n1[C@H](C)c1ccccc1 |r,wU:21.21,wD:30.35,(16.67,-5.18,;15.91,-6.52,;14.37,-6.52,;13.6,-7.86,;14.23,-9.26,;13.1,-10.29,;13.11,-11.84,;11.78,-12.61,;10.44,-11.84,;9.11,-12.62,;7.77,-11.85,;6.44,-12.61,;5.03,-11.99,;4.71,-10.48,;4,-13.13,;4.77,-14.47,;6.28,-14.15,;7.42,-15.18,;7.78,-10.31,;6.44,-9.54,;6.44,-8,;5.11,-7.23,;3.71,-7.86,;2.68,-6.71,;3.45,-5.38,;4.95,-5.7,;9.1,-9.54,;10.44,-10.3,;11.77,-9.53,;12.08,-8.03,;11.05,-6.88,;9.54,-7.21,;11.52,-5.42,;13.02,-5.1,;13.49,-3.64,;12.46,-2.5,;10.95,-2.83,;10.48,-4.29,)| Show InChI InChI=1S/C30H33N5O3/c1-18-29(20(3)38-34-18)24-12-25-23(13-27(24)37-16-21-10-11-31-14-21)30-26(15-32-25)33-28(17-36-4)35(30)19(2)22-8-6-5-7-9-22/h5-9,12-13,15,19,21,31H,10-11,14,16-17H2,1-4H3/t19-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of bromosporine-tracer from BRD4 (unknown origin) expressed in HEK293 cells by NanoBRET NanoGlo substrate based NanoBRET assay				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (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 GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD2 BD1 (1 to 473 residues)/BD2 Y386A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544603 (CHEMBL4633643) Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)n(C)c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(3.53,-7.18,;3.53,-8.72,;4.87,-9.49,;6.2,-8.72,;7.53,-9.48,;8.86,-8.71,;9.17,-7.21,;8.14,-6.07,;6.63,-6.39,;8.61,-4.6,;10.11,-4.29,;10.58,-2.82,;9.55,-1.68,;8.04,-2.01,;7.57,-3.48,;10.69,-7.04,;11.46,-5.71,;11.32,-8.44,;12.83,-8.76,;10.19,-9.47,;10.2,-11.02,;8.87,-11.79,;7.53,-11.03,;6.2,-11.8,;4.86,-11.03,;3.53,-11.8,;2.12,-11.17,;1.81,-9.66,;1.09,-12.31,;1.86,-13.65,;3.37,-13.33,;4.51,-14.36,)| Show InChI InChI=1S/C24H23N5O3/c1-13-22(15(3)32-27-13)17-10-19-16(11-21(17)31-5)23-20(12-26-19)28(4)24(30)29(23)14(2)18-8-6-7-9-25-18/h6-12,14H,1-5H3/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544611 (CHEMBL4639924) Show SMILES CC(c1ccccn1)n1c2c(cnc3cc(-c4c(C)noc4C)c(O[C@H]4C[C@H](N)C4)cc23)n(C)c1=O |r,wU:27.29,wD:25.26,(34.58,-34.42,;36.08,-34.09,;36.55,-32.63,;38.06,-32.31,;38.53,-30.85,;37.49,-29.7,;35.98,-30.03,;35.52,-31.5,;37.12,-35.23,;36.8,-36.73,;38.13,-37.49,;38.15,-39.04,;36.81,-39.82,;35.48,-39.05,;34.14,-39.83,;32.81,-39.06,;31.48,-39.82,;30.07,-39.19,;29.75,-37.69,;29.04,-40.34,;29.81,-41.67,;31.31,-41.35,;32.46,-42.38,;32.81,-37.51,;31.48,-36.74,;31.48,-35.2,;32.57,-34.11,;31.48,-33.03,;31.48,-31.49,;30.39,-34.12,;34.14,-36.74,;35.48,-37.51,;39.27,-36.47,;40.78,-36.78,;38.64,-35.07,;39.41,-33.73,)| Show InChI InChI=1S/C27H28N6O3/c1-14-25(16(3)36-31-14)20-11-22-19(12-24(20)35-18-9-17(28)10-18)26-23(13-30-22)32(4)27(34)33(26)15(2)21-7-5-6-8-29-21/h5-8,11-13,15,17-18H,9-10,28H2,1-4H3/t15?,17-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (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	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD3 BD2 (1 to 435 residues)/BD1 Y73A mutant expressed in Escheri...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50544597 (GSK778) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC[C@H]4CCNC4)cc3c2n1[C@H](C)c1ccccc1 |r,wU:21.21,wD:30.35,(16.67,-5.18,;15.91,-6.52,;14.37,-6.52,;13.6,-7.86,;14.23,-9.26,;13.1,-10.29,;13.11,-11.84,;11.78,-12.61,;10.44,-11.84,;9.11,-12.62,;7.77,-11.85,;6.44,-12.61,;5.03,-11.99,;4.71,-10.48,;4,-13.13,;4.77,-14.47,;6.28,-14.15,;7.42,-15.18,;7.78,-10.31,;6.44,-9.54,;6.44,-8,;5.11,-7.23,;3.71,-7.86,;2.68,-6.71,;3.45,-5.38,;4.95,-5.7,;9.1,-9.54,;10.44,-10.3,;11.77,-9.53,;12.08,-8.03,;11.05,-6.88,;9.54,-7.21,;11.52,-5.42,;13.02,-5.1,;13.49,-3.64,;12.46,-2.5,;10.95,-2.83,;10.48,-4.29,)| Show InChI InChI=1S/C30H33N5O3/c1-18-29(20(3)38-34-18)24-12-25-23(13-27(24)37-16-21-10-11-31-14-21)30-26(15-32-25)33-28(17-36-4)35(30)19(2)22-8-6-5-7-9-22/h5-9,12-13,15,19,21,31H,10-11,14,16-17H2,1-4H3/t19-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD2 BD1 (1 to 473 residues)/BD2 Y386A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRDT BD1 (1 to 397 residues)/BD2 Y309A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50544597 (GSK778) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC[C@H]4CCNC4)cc3c2n1[C@H](C)c1ccccc1 |r,wU:21.21,wD:30.35,(16.67,-5.18,;15.91,-6.52,;14.37,-6.52,;13.6,-7.86,;14.23,-9.26,;13.1,-10.29,;13.11,-11.84,;11.78,-12.61,;10.44,-11.84,;9.11,-12.62,;7.77,-11.85,;6.44,-12.61,;5.03,-11.99,;4.71,-10.48,;4,-13.13,;4.77,-14.47,;6.28,-14.15,;7.42,-15.18,;7.78,-10.31,;6.44,-9.54,;6.44,-8,;5.11,-7.23,;3.71,-7.86,;2.68,-6.71,;3.45,-5.38,;4.95,-5.7,;9.1,-9.54,;10.44,-10.3,;11.77,-9.53,;12.08,-8.03,;11.05,-6.88,;9.54,-7.21,;11.52,-5.42,;13.02,-5.1,;13.49,-3.64,;12.46,-2.5,;10.95,-2.83,;10.48,-4.29,)| Show InChI InChI=1S/C30H33N5O3/c1-18-29(20(3)38-34-18)24-12-25-23(13-27(24)37-16-21-10-11-31-14-21)30-26(15-32-25)33-28(17-36-4)35(30)19(2)22-8-6-5-7-9-22/h5-9,12-13,15,19,21,31H,10-11,14,16-17H2,1-4H3/t19-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRDT BD1 (1 to 397 residues)/BD2 Y309A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (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 GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD2 BD2 (1 to 473 residues)/BD1 Y113A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544612 (CHEMBL4640166) Show SMILES CC(c1ccccn1)n1c2c(cnc3cc(-c4c(C)noc4C)c(O[C@@H]4C[C@H](N)C4)cc23)n(C)c1=O |r,wU:25.26,27.29,(21.29,-34.56,;22.8,-34.23,;23.27,-32.76,;24.77,-32.45,;25.24,-30.98,;24.21,-29.84,;22.7,-30.17,;22.23,-31.64,;23.83,-35.37,;23.52,-36.87,;24.85,-37.63,;24.86,-39.18,;23.53,-39.96,;22.19,-39.19,;20.86,-39.97,;19.52,-39.2,;18.19,-39.96,;16.79,-39.33,;16.47,-37.83,;15.75,-40.48,;16.52,-41.81,;18.03,-41.49,;19.17,-42.52,;19.53,-37.65,;18.19,-36.88,;18.19,-35.34,;19.28,-34.25,;18.19,-33.17,;18.19,-31.63,;17.1,-34.25,;20.86,-36.88,;22.19,-37.64,;25.98,-36.6,;27.49,-36.92,;25.36,-35.21,;26.12,-33.87,)| Show InChI InChI=1S/C27H28N6O3/c1-14-25(16(3)36-31-14)20-11-22-19(12-24(20)35-18-9-17(28)10-18)26-23(13-30-22)32(4)27(34)33(26)15(2)21-7-5-6-8-29-21/h5-8,11-13,15,17-18H,9-10,28H2,1-4H3/t15?,17-,18+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					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	316	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant expressed in Escheri...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50544616 (CHEMBL4635329) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccc1 |r,wD:25.29,(48.14,-4.72,;47.37,-6.05,;45.83,-6.06,;45.07,-7.39,;45.69,-8.79,;44.56,-9.82,;44.57,-11.37,;43.24,-12.14,;41.9,-11.38,;40.57,-12.15,;39.24,-11.38,;37.9,-12.15,;36.5,-11.52,;36.18,-10.01,;35.46,-12.66,;36.23,-14,;37.74,-13.68,;38.88,-14.71,;39.24,-9.84,;37.9,-9.07,;37.9,-7.53,;40.57,-9.07,;41.9,-9.83,;43.23,-9.06,;43.54,-7.56,;42.51,-6.42,;41,-6.74,;42.98,-4.95,;44.48,-4.64,;44.95,-3.17,;43.92,-2.03,;42.41,-2.36,;41.94,-3.83,)| Show InChI InChI=1S/C26H26N4O3/c1-15-25(17(3)33-29-15)20-11-21-19(12-23(20)32-5)26-22(13-27-21)28-24(14-31-4)30(26)16(2)18-9-7-6-8-10-18/h6-13,16H,14H2,1-5H3/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRDT BD2 (1 to 397 residues)/BD1 Y66A mutant expressed in Escheri...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544599 (CHEMBL4635126) Show SMILES CC(c1ccccn1)n1c2c(cnc3cc(-c4c(C)noc4C)c(OCCCO)cc23)n(C)c1=O |(7.64,-20.51,;9.15,-20.18,;9.62,-18.72,;11.12,-18.4,;11.59,-16.94,;10.56,-15.8,;9.05,-16.13,;8.58,-17.59,;10.18,-21.33,;9.87,-22.83,;11.2,-23.59,;11.21,-25.14,;9.88,-25.91,;8.54,-25.14,;7.21,-25.92,;5.88,-25.15,;4.54,-25.91,;3.14,-25.29,;2.82,-23.78,;2.1,-26.43,;2.87,-27.76,;4.38,-27.45,;5.52,-28.48,;5.88,-23.61,;4.54,-22.84,;4.54,-21.3,;3.21,-20.53,;3.21,-18.99,;1.88,-18.22,;7.21,-22.84,;8.54,-23.6,;12.33,-22.56,;13.84,-22.87,;11.71,-21.16,;12.47,-19.82,)| Show InChI InChI=1S/C26H27N5O4/c1-15-24(17(3)35-29-15)19-12-21-18(13-23(19)34-11-7-10-32)25-22(14-28-21)30(4)26(33)31(25)16(2)20-8-5-6-9-27-20/h5-6,8-9,12-14,16,32H,7,10-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544603 (CHEMBL4633643) Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)n(C)c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(3.53,-7.18,;3.53,-8.72,;4.87,-9.49,;6.2,-8.72,;7.53,-9.48,;8.86,-8.71,;9.17,-7.21,;8.14,-6.07,;6.63,-6.39,;8.61,-4.6,;10.11,-4.29,;10.58,-2.82,;9.55,-1.68,;8.04,-2.01,;7.57,-3.48,;10.69,-7.04,;11.46,-5.71,;11.32,-8.44,;12.83,-8.76,;10.19,-9.47,;10.2,-11.02,;8.87,-11.79,;7.53,-11.03,;6.2,-11.8,;4.86,-11.03,;3.53,-11.8,;2.12,-11.17,;1.81,-9.66,;1.09,-12.31,;1.86,-13.65,;3.37,-13.33,;4.51,-14.36,)| Show InChI InChI=1S/C24H23N5O3/c1-13-22(15(3)32-27-13)17-10-19-16(11-21(17)31-5)23-20(12-26-19)28(4)24(30)29(23)14(2)18-8-6-7-9-25-18/h6-12,14H,1-5H3/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant expressed in Escheri...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544607 (CHEMBL4641363) Show SMILES CC(c1ccccn1)n1c2c(cnc3cc(-c4c(C)noc4C)c(OC[C@H]4CCNC4)cc23)n(C)c1=O |r,wU:26.27,(21.46,-48.24,;22.96,-47.91,;23.43,-46.45,;24.94,-46.13,;25.41,-44.67,;24.37,-43.52,;22.86,-43.86,;22.4,-45.32,;24,-49.05,;23.68,-50.55,;25.01,-51.32,;25.03,-52.86,;23.69,-53.64,;22.36,-52.87,;21.02,-53.65,;19.69,-52.88,;18.36,-53.64,;16.95,-53.01,;16.63,-51.51,;15.92,-54.16,;16.69,-55.49,;18.19,-55.17,;19.34,-56.2,;19.69,-51.33,;18.36,-50.56,;18.36,-49.02,;17.02,-48.25,;15.62,-48.88,;14.58,-47.73,;15.35,-46.4,;16.86,-46.72,;21.02,-50.56,;22.36,-51.33,;26.15,-50.29,;27.65,-50.6,;25.52,-48.89,;26.28,-47.55,)| Show InChI InChI=1S/C28H30N6O3/c1-16-26(18(3)37-32-16)21-11-23-20(12-25(21)36-15-19-8-10-29-13-19)27-24(14-31-23)33(4)28(35)34(27)17(2)22-7-5-6-9-30-22/h5-7,9,11-12,14,17,19,29H,8,10,13,15H2,1-4H3/t17?,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544600 (CHEMBL4641414) Show SMILES CC(c1ccccn1)n1c2c(cnc3cc(-c4c(C)noc4C)c(OCCCN)cc23)n(C)c1=O |(48.2,-4.84,;49.7,-4.51,;50.17,-3.05,;51.68,-2.73,;52.15,-1.27,;51.11,-.12,;49.6,-.46,;49.14,-1.92,;50.74,-5.65,;50.42,-7.15,;51.75,-7.92,;51.77,-9.46,;50.43,-10.24,;49.1,-9.47,;47.76,-10.25,;46.43,-9.48,;45.1,-10.24,;43.69,-9.61,;43.37,-8.11,;42.66,-10.76,;43.43,-12.09,;44.93,-11.77,;46.08,-12.8,;46.43,-7.93,;45.1,-7.16,;45.1,-5.62,;43.76,-4.85,;43.76,-3.31,;42.43,-2.54,;47.76,-7.16,;49.1,-7.93,;52.89,-6.89,;54.4,-7.2,;52.26,-5.49,;53.03,-4.15,)| Show InChI InChI=1S/C26H28N6O3/c1-15-24(17(3)35-30-15)19-12-21-18(13-23(19)34-11-7-9-27)25-22(14-29-21)31(4)26(33)32(25)16(2)20-8-5-6-10-28-20/h5-6,8,10,12-14,16H,7,9,11,27H2,1-4H3	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
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544598 (CHEMBL4648188) Show SMILES CC(c1ccccn1)n1c2c(cnc3cc(-c4c(C)noc4C)c(OCCCNC(C)=O)cc23)n(C)c1=O |(24.52,-20.68,;26.02,-20.36,;26.5,-18.89,;28,-18.57,;28.47,-17.11,;27.44,-15.97,;25.92,-16.3,;25.46,-17.76,;27.06,-21.5,;26.75,-23,;28.08,-23.76,;28.09,-25.31,;26.76,-26.08,;25.42,-25.31,;24.09,-26.09,;22.75,-25.32,;21.42,-26.08,;20.01,-25.46,;19.69,-23.95,;18.98,-26.6,;19.75,-27.94,;21.26,-27.62,;22.4,-28.65,;22.75,-23.78,;21.42,-23.01,;21.42,-21.47,;20.09,-20.7,;20.09,-19.16,;18.75,-18.39,;18.75,-16.85,;17.42,-16.08,;20.09,-16.08,;24.08,-23.01,;25.42,-23.77,;29.21,-22.73,;30.72,-23.04,;28.58,-21.33,;29.35,-19.99,)| Show InChI InChI=1S/C28H30N6O4/c1-16-26(18(3)38-32-16)21-13-23-20(14-25(21)37-12-8-11-29-19(4)35)27-24(15-31-23)33(5)28(36)34(27)17(2)22-9-6-7-10-30-22/h6-7,9-10,13-15,17H,8,11-12H2,1-5H3,(H,29,35)	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
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544608 (CHEMBL4642291) Show SMILES CC(c1ccccn1)n1c2c(cnc3cc(-c4c(C)noc4C)c(OC[C@@H]4CCNC4)cc23)n(C)c1=O |r,wD:26.27,(7.59,-49.12,;9.09,-48.79,;9.56,-47.33,;11.07,-47.01,;11.54,-45.55,;10.51,-44.4,;8.99,-44.73,;8.53,-46.2,;10.13,-49.93,;9.81,-51.43,;11.14,-52.19,;11.16,-53.74,;9.82,-54.52,;8.49,-53.75,;7.16,-54.53,;5.82,-53.76,;4.49,-54.52,;3.08,-53.89,;2.76,-52.39,;2.05,-55.04,;2.82,-56.37,;4.32,-56.05,;5.47,-57.08,;5.82,-52.21,;4.49,-51.44,;4.49,-49.9,;3.15,-49.13,;1.75,-49.76,;.72,-48.61,;1.49,-47.28,;2.99,-47.6,;7.15,-51.44,;8.49,-52.21,;12.28,-51.17,;13.79,-51.48,;11.65,-49.77,;12.42,-48.43,)| Show InChI InChI=1S/C28H30N6O3/c1-16-26(18(3)37-32-16)21-11-23-20(12-25(21)36-15-19-8-10-29-13-19)27-24(14-31-23)33(4)28(35)34(27)17(2)22-7-5-6-9-30-22/h5-7,9,11-12,14,17,19,29H,8,10,13,15H2,1-4H3/t17?,19-/m1/s1	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
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544606 (CHEMBL4644512) Show SMILES CC(c1ccccn1)n1c2c(cnc3cc(-c4c(C)noc4C)c(OCC4CCNCC4)cc23)n(C)c1=O |(36.26,-47.78,;37.76,-47.45,;38.23,-45.99,;39.74,-45.67,;40.21,-44.21,;39.17,-43.06,;37.66,-43.4,;37.2,-44.86,;38.8,-48.59,;38.48,-50.09,;39.81,-50.86,;39.83,-52.4,;38.49,-53.18,;37.16,-52.41,;35.82,-53.19,;34.49,-52.42,;33.16,-53.18,;31.75,-52.55,;31.43,-51.05,;30.72,-53.7,;31.49,-55.03,;32.99,-54.71,;34.14,-55.74,;34.49,-50.87,;33.16,-50.1,;33.16,-48.56,;31.82,-47.79,;31.83,-46.25,;30.51,-45.48,;29.17,-46.25,;29.16,-47.79,;30.5,-48.57,;35.82,-50.1,;37.16,-50.87,;40.95,-49.83,;42.45,-50.14,;40.32,-48.43,;41.08,-47.09,)| Show InChI InChI=1S/C29H32N6O3/c1-17-27(19(3)38-33-17)22-13-24-21(14-26(22)37-16-20-8-11-30-12-9-20)28-25(15-32-24)34(4)29(36)35(28)18(2)23-7-5-6-10-31-23/h5-7,10,13-15,18,20,30H,8-9,11-12,16H2,1-4H3	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
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544614 (CHEMBL4643720) Show SMILES C[C@H](c1ccccn1)n1c2c(cnc3cc(-c4c(C)noc4C)c(OCCCN(C)C)cc23)n(C)c1=O |r,wD:1.0,(54.89,-20.27,;56.4,-19.94,;56.87,-18.48,;58.37,-18.16,;58.84,-16.7,;57.81,-15.55,;56.3,-15.89,;55.83,-17.35,;57.43,-21.08,;57.12,-22.58,;58.45,-23.35,;58.46,-24.89,;57.13,-25.67,;55.79,-24.9,;54.46,-25.68,;53.13,-24.91,;51.79,-25.67,;50.39,-25.05,;50.07,-23.54,;49.35,-26.19,;50.12,-27.52,;51.63,-27.2,;52.77,-28.24,;53.13,-23.36,;51.79,-22.59,;51.79,-21.05,;50.46,-20.29,;50.46,-18.75,;49.13,-17.98,;49.13,-16.44,;47.79,-18.75,;54.46,-22.59,;55.79,-23.36,;59.58,-22.32,;61.09,-22.63,;58.96,-20.92,;59.72,-19.58,)| Show InChI InChI=1S/C28H32N6O3/c1-17-26(19(3)37-31-17)21-14-23-20(15-25(21)36-13-9-12-32(4)5)27-24(16-30-23)33(6)28(35)34(27)18(2)22-10-7-8-11-29-22/h7-8,10-11,14-16,18H,9,12-13H2,1-6H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544615 (CHEMBL4633358) Show SMILES CNCCCOc1cc2c3n(C(C)c4ccccn4)c(=O)n(C)c3cnc2cc1-c1c(C)noc1C |(33.69,-16.03,;33.69,-17.57,;35.02,-18.34,;35.02,-19.88,;36.36,-20.65,;36.36,-22.19,;37.69,-22.96,;39.02,-22.19,;40.35,-22.95,;41.68,-22.18,;41.99,-20.68,;40.96,-19.54,;39.45,-19.86,;41.43,-18.07,;42.94,-17.76,;43.41,-16.29,;42.37,-15.15,;40.86,-15.48,;40.4,-16.95,;43.52,-20.51,;44.28,-19.18,;44.15,-21.91,;45.65,-22.23,;43.01,-22.94,;43.02,-24.49,;41.69,-25.26,;40.35,-24.5,;39.02,-25.28,;37.69,-24.5,;36.35,-25.27,;34.95,-24.64,;34.63,-23.13,;33.92,-25.79,;34.68,-27.12,;36.19,-26.8,;37.34,-27.83,)| Show InChI InChI=1S/C27H30N6O3/c1-16-25(18(3)36-31-16)20-13-22-19(14-24(20)35-12-8-10-28-4)26-23(15-30-22)32(5)27(34)33(26)17(2)21-9-6-7-11-29-21/h6-7,9,11,13-15,17,28H,8,10,12H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50544597 (GSK778) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC[C@H]4CCNC4)cc3c2n1[C@H](C)c1ccccc1 |r,wU:21.21,wD:30.35,(16.67,-5.18,;15.91,-6.52,;14.37,-6.52,;13.6,-7.86,;14.23,-9.26,;13.1,-10.29,;13.11,-11.84,;11.78,-12.61,;10.44,-11.84,;9.11,-12.62,;7.77,-11.85,;6.44,-12.61,;5.03,-11.99,;4.71,-10.48,;4,-13.13,;4.77,-14.47,;6.28,-14.15,;7.42,-15.18,;7.78,-10.31,;6.44,-9.54,;6.44,-8,;5.11,-7.23,;3.71,-7.86,;2.68,-6.71,;3.45,-5.38,;4.95,-5.7,;9.1,-9.54,;10.44,-10.3,;11.77,-9.53,;12.08,-8.03,;11.05,-6.88,;9.54,-7.21,;11.52,-5.42,;13.02,-5.1,;13.49,-3.64,;12.46,-2.5,;10.95,-2.83,;10.48,-4.29,)| Show InChI InChI=1S/C30H33N5O3/c1-18-29(20(3)38-34-18)24-12-25-23(13-27(24)37-16-21-10-11-31-14-21)30-26(15-32-25)33-28(17-36-4)35(30)19(2)22-8-6-5-7-9-22/h5-9,12-13,15,19,21,31H,10-11,14,16-17H2,1-4H3/t19-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD3 BD2 (1 to 435 residues)/BD1 Y73A mutant expressed in Escheri...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544602 (CHEMBL4640928) Show SMILES CC(c1ccccn1)n1c2c(cnc3cc(-c4c(C)noc4C)c(OCCN)cc23)n(C)c1=O |(20.2,-5.84,;21.7,-5.52,;22.17,-4.05,;23.68,-3.73,;24.15,-2.27,;23.11,-1.13,;21.6,-1.46,;21.14,-2.92,;22.74,-6.66,;22.42,-8.16,;23.75,-8.92,;23.77,-10.47,;22.43,-11.24,;21.1,-10.47,;19.76,-11.25,;18.43,-10.48,;17.1,-11.25,;15.69,-10.62,;15.37,-9.11,;14.66,-11.76,;15.43,-13.1,;16.93,-12.78,;18.08,-13.81,;18.43,-8.94,;17.1,-8.17,;17.1,-6.63,;15.76,-5.86,;15.76,-4.32,;19.76,-8.17,;21.1,-8.93,;24.89,-7.89,;26.39,-8.2,;24.26,-6.49,;25.02,-5.15,)| Show InChI InChI=1S/C25H26N6O3/c1-14-23(16(3)34-29-14)18-11-20-17(12-22(18)33-10-8-26)24-21(13-28-20)30(4)25(32)31(24)15(2)19-7-5-6-9-27-19/h5-7,9,11-13,15H,8,10,26H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544610 (CHEMBL4635194) Show SMILES C[C@H](c1ccccn1)n1c2c(cnc3cc(-c4c(C)noc4C)c(O[C@@H]4CCNC4)cc23)n(C)c1=O |r,wU:25.26,wD:1.0,(48.42,-33.8,;49.93,-33.48,;50.4,-32.01,;51.9,-31.7,;52.38,-30.23,;51.34,-29.09,;49.83,-29.42,;49.36,-30.89,;50.96,-34.62,;50.65,-36.12,;51.98,-36.88,;51.99,-38.43,;50.66,-39.2,;49.32,-38.44,;47.99,-39.21,;46.66,-38.44,;45.32,-39.21,;43.92,-38.58,;43.6,-37.07,;42.88,-39.72,;43.65,-41.06,;45.16,-40.74,;46.3,-41.77,;46.66,-36.9,;45.32,-36.13,;45.32,-34.59,;46.57,-33.68,;46.09,-32.22,;44.55,-32.22,;44.08,-33.69,;47.99,-36.13,;49.32,-36.89,;53.11,-35.85,;54.62,-36.17,;52.49,-34.45,;53.25,-33.12,)| Show InChI InChI=1S/C27H28N6O3/c1-15-25(17(3)36-31-15)20-11-22-19(12-24(20)35-18-8-10-28-13-18)26-23(14-30-22)32(4)27(34)33(26)16(2)21-7-5-6-9-29-21/h5-7,9,11-12,14,16,18,28H,8,10,13H2,1-4H3/t16-,18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRDT BD2 (1 to 397 residues)/BD1 Y66A mutant expressed in Escheri...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544601 (CHEMBL4637861) Show SMILES C[C@H](c1ccccn1)n1c2c(cnc3cc(-c4c(C)noc4C)c(OCCN(C)C)cc23)n(C)c1=O |r,wD:1.0,(34.26,-5.47,;35.76,-5.15,;36.23,-3.68,;37.74,-3.37,;38.21,-1.9,;37.17,-.76,;35.66,-1.09,;35.2,-2.56,;36.8,-6.29,;36.48,-7.79,;37.81,-8.55,;37.83,-10.1,;36.49,-10.87,;35.16,-10.11,;33.82,-10.89,;32.49,-10.12,;31.16,-10.88,;29.75,-10.25,;29.43,-8.74,;28.72,-11.4,;29.49,-12.73,;30.99,-12.41,;32.14,-13.44,;32.49,-8.57,;31.16,-7.8,;31.16,-6.26,;29.82,-5.49,;29.82,-3.95,;28.49,-3.18,;31.16,-3.18,;33.82,-7.8,;35.16,-8.56,;38.95,-7.52,;40.46,-7.84,;38.32,-6.13,;39.09,-4.79,)| Show InChI InChI=1S/C27H30N6O3/c1-16-25(18(3)36-30-16)20-13-22-19(14-24(20)35-12-11-31(4)5)26-23(15-29-22)32(6)27(34)33(26)17(2)21-9-7-8-10-28-21/h7-10,13-15,17H,11-12H2,1-6H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544613 (CHEMBL4646732) Show SMILES C[C@H](c1ccccn1)n1c2c(cnc3cc(-c4c(C)noc4C)c(OCC(O)=O)cc23)n(C)c1=O |r,wD:1.0,(7.31,-34.56,;8.81,-34.23,;9.28,-32.76,;10.79,-32.45,;11.26,-30.98,;10.22,-29.84,;8.71,-30.17,;8.25,-31.64,;9.85,-35.37,;9.53,-36.87,;10.86,-37.63,;10.88,-39.18,;9.54,-39.96,;8.21,-39.19,;6.88,-39.97,;5.54,-39.2,;4.21,-39.96,;2.8,-39.33,;2.48,-37.83,;1.77,-40.48,;2.54,-41.81,;4.04,-41.49,;5.19,-42.52,;5.54,-37.65,;4.21,-36.88,;4.21,-35.34,;2.87,-34.57,;1.54,-35.34,;2.87,-33.03,;6.87,-36.88,;8.21,-37.65,;12,-36.6,;13.51,-36.92,;11.37,-35.21,;12.14,-33.87,)| Show InChI InChI=1S/C25H23N5O5/c1-13-23(15(3)35-28-13)17-9-19-16(10-21(17)34-12-22(31)32)24-20(11-27-19)29(4)25(33)30(24)14(2)18-7-5-6-8-26-18/h5-11,14H,12H2,1-4H3,(H,31,32)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50544597 (GSK778) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC[C@H]4CCNC4)cc3c2n1[C@H](C)c1ccccc1 |r,wU:21.21,wD:30.35,(16.67,-5.18,;15.91,-6.52,;14.37,-6.52,;13.6,-7.86,;14.23,-9.26,;13.1,-10.29,;13.11,-11.84,;11.78,-12.61,;10.44,-11.84,;9.11,-12.62,;7.77,-11.85,;6.44,-12.61,;5.03,-11.99,;4.71,-10.48,;4,-13.13,;4.77,-14.47,;6.28,-14.15,;7.42,-15.18,;7.78,-10.31,;6.44,-9.54,;6.44,-8,;5.11,-7.23,;3.71,-7.86,;2.68,-6.71,;3.45,-5.38,;4.95,-5.7,;9.1,-9.54,;10.44,-10.3,;11.77,-9.53,;12.08,-8.03,;11.05,-6.88,;9.54,-7.21,;11.52,-5.42,;13.02,-5.1,;13.49,-3.64,;12.46,-2.5,;10.95,-2.83,;10.48,-4.29,)| Show InChI InChI=1S/C30H33N5O3/c1-18-29(20(3)38-34-18)24-12-25-23(13-27(24)37-16-21-10-11-31-14-21)30-26(15-32-25)33-28(17-36-4)35(30)19(2)22-8-6-5-7-9-22/h5-9,12-13,15,19,21,31H,10-11,14,16-17H2,1-4H3/t19-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD2 BD2 (1 to 473 residues)/BD1 Y113A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair

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