Compile Data Set for Download or QSAR

Found 95 hits Enz. Inhib. hit(s) with all data for entry = 50014677   

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))	BDBM50578787 (CHEMBL4874801) Show SMILES COCCNc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccn1 |r,wD:27.31,(40.22,-48.31,;39.45,-46.98,;37.91,-46.98,;37.14,-45.65,;35.6,-45.65,;34.83,-46.99,;35.46,-48.39,;34.32,-49.42,;34.34,-50.97,;33,-51.74,;31.67,-50.97,;30.33,-51.75,;29,-50.98,;27.66,-51.75,;26.26,-51.13,;25.94,-49.62,;25.23,-52.27,;26,-53.61,;27.51,-53.29,;28.65,-54.32,;29,-49.44,;27.67,-48.67,;27.67,-47.13,;30.33,-48.67,;31.67,-49.43,;32.99,-48.66,;33.31,-47.16,;32.27,-46.02,;30.77,-46.34,;32.74,-44.55,;34.25,-44.23,;34.72,-42.77,;33.68,-41.63,;32.17,-41.96,;31.71,-43.42,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					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
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578803 (CHEMBL4874457) Show SMILES CCCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1 |(51.57,-49.7,;50.81,-51.04,;49.27,-51.04,;48.5,-52.38,;49.13,-53.78,;47.99,-54.81,;48.01,-56.35,;46.67,-57.13,;45.34,-56.36,;44.01,-57.14,;42.67,-56.37,;41.34,-57.14,;39.94,-56.52,;39.61,-55.01,;38.9,-57.66,;39.67,-58.99,;41.18,-58.68,;42.33,-59.7,;42.67,-54.82,;41.34,-54.06,;41.34,-52.52,;44,-54.05,;45.34,-54.82,;46.66,-54.05,;46.98,-52.54,;45.94,-51.4,;46.41,-49.94,;47.92,-49.62,;48.39,-48.16,;47.36,-47.02,;45.84,-47.35,;45.38,-48.81,)| Show InChI	PDB 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
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578814 (CHEMBL4861790) Show SMILES COc1cc2c3n(CC4CCOCC4)c(nc3cnc2cc1-c1c(C)noc1C)N1CCOCC1 |(13.88,-45.91,;13.88,-47.45,;15.21,-48.22,;16.54,-47.45,;17.87,-48.21,;19.2,-47.44,;19.51,-45.94,;18.48,-44.8,;18.95,-43.33,;20.46,-43.02,;20.93,-41.56,;19.9,-40.41,;18.39,-40.73,;17.91,-42.2,;21.04,-45.78,;21.67,-47.17,;20.53,-48.2,;20.55,-49.75,;19.21,-50.53,;17.88,-49.76,;16.54,-50.54,;15.21,-49.77,;13.87,-50.53,;12.47,-49.91,;12.15,-48.41,;11.44,-51.06,;12.21,-52.39,;13.72,-52.07,;14.86,-53.1,;21.8,-44.44,;23.34,-44.44,;24.1,-43.11,;23.34,-41.78,;21.8,-41.78,;21.02,-43.12,)| Show InChI	PDB 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
TBA					Assay Description Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578787 (CHEMBL4874801) Show SMILES COCCNc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccn1 |r,wD:27.31,(40.22,-48.31,;39.45,-46.98,;37.91,-46.98,;37.14,-45.65,;35.6,-45.65,;34.83,-46.99,;35.46,-48.39,;34.32,-49.42,;34.34,-50.97,;33,-51.74,;31.67,-50.97,;30.33,-51.75,;29,-50.98,;27.66,-51.75,;26.26,-51.13,;25.94,-49.62,;25.23,-52.27,;26,-53.61,;27.51,-53.29,;28.65,-54.32,;29,-49.44,;27.67,-48.67,;27.67,-47.13,;30.33,-48.67,;31.67,-49.43,;32.99,-48.66,;33.31,-47.16,;32.27,-46.02,;30.77,-46.34,;32.74,-44.55,;34.25,-44.23,;34.72,-42.77,;33.68,-41.63,;32.17,-41.96,;31.71,-43.42,)| Show InChI	PDB 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
TBA					Assay Description Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578802 (CHEMBL4862999) Show SMILES CCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1 |(39.21,-51.97,;37.67,-51.98,;36.9,-53.31,;37.53,-54.71,;36.4,-55.74,;36.41,-57.29,;35.08,-58.06,;33.74,-57.29,;32.41,-58.07,;31.07,-57.3,;29.74,-58.07,;28.34,-57.45,;28.02,-55.94,;27.31,-58.59,;28.08,-59.93,;29.58,-59.61,;30.73,-60.64,;31.08,-55.76,;29.74,-54.99,;29.74,-53.45,;32.41,-54.99,;33.74,-55.75,;35.07,-54.98,;35.38,-53.48,;34.35,-52.34,;34.82,-50.87,;36.32,-50.56,;36.79,-49.09,;35.76,-47.95,;34.25,-48.28,;33.78,-49.74,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578813 (CHEMBL4853472) Show SMILES COc1cc2c3n(C(C)C4CCOCC4)c(nc3cnc2cc1-c1c(C)noc1C)C1CCOCC1 |(37,-33.67,;37,-35.21,;38.34,-35.98,;39.66,-35.21,;41,-35.97,;42.33,-35.2,;42.64,-33.7,;41.61,-32.56,;40.1,-32.89,;42.08,-31.09,;43.58,-30.78,;44.05,-29.32,;43.02,-28.17,;41.52,-28.49,;41.04,-29.96,;44.16,-33.54,;44.79,-34.93,;43.66,-35.96,;43.67,-37.51,;42.34,-38.29,;41,-37.52,;39.67,-38.3,;38.33,-37.53,;37,-38.3,;35.6,-37.67,;35.28,-36.17,;34.57,-38.82,;35.34,-40.15,;36.84,-39.83,;37.99,-40.86,;44.93,-32.2,;46.47,-32.19,;47.23,-30.86,;46.46,-29.53,;44.92,-29.53,;44.15,-30.87,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578784 (CHEMBL4874790) Show SMILES COCCNc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1 |(36.85,-2.98,;36.09,-4.32,;34.55,-4.33,;33.78,-5.66,;32.24,-5.67,;31.48,-7,;32.11,-8.4,;30.97,-9.43,;30.98,-10.98,;29.65,-11.75,;28.31,-10.99,;26.98,-11.77,;25.65,-10.99,;24.31,-11.76,;22.91,-11.14,;22.59,-9.64,;21.88,-12.29,;22.65,-13.62,;24.16,-13.3,;25.3,-14.33,;25.65,-9.45,;24.31,-8.68,;24.31,-7.14,;26.98,-8.68,;28.31,-9.44,;29.64,-8.67,;29.95,-7.17,;28.92,-6.03,;29.39,-4.56,;30.89,-4.25,;31.37,-2.78,;30.33,-1.64,;28.82,-1.97,;28.35,-3.44,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578786 (CHEMBL4874356) Show SMILES COc1cc2c3n(CC4CCOCC4)c(nc3cnc2cc1-c1c(C)noc1C)N(C)C |(3.33,-45.38,;3.33,-46.92,;4.66,-47.69,;5.99,-46.92,;7.33,-47.69,;8.65,-46.91,;8.97,-45.41,;7.93,-44.27,;8.41,-42.81,;9.91,-42.49,;10.38,-41.03,;9.35,-39.89,;7.84,-40.21,;7.37,-41.68,;10.49,-45.25,;11.12,-46.65,;9.98,-47.68,;10,-49.22,;8.66,-50,;7.33,-49.23,;6,-50.01,;4.66,-49.24,;3.33,-50.01,;1.93,-49.39,;1.61,-47.88,;.89,-50.53,;1.66,-51.86,;3.17,-51.55,;4.32,-52.57,;11.26,-43.91,;12.8,-43.91,;11.04,-42.25,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578805 (CHEMBL4847186) Show SMILES COc1cc2c3n(Cc4ccccn4)c(N)nc3cnc2cc1-c1c(C)noc1C |(13.99,-7.02,;13.99,-8.56,;15.33,-9.33,;16.66,-8.56,;17.99,-9.33,;19.32,-8.55,;19.63,-7.05,;18.6,-5.91,;19.07,-4.45,;20.57,-4.13,;21.05,-2.67,;20.01,-1.52,;18.5,-1.86,;18.03,-3.32,;21.16,-6.89,;21.92,-5.55,;21.78,-8.29,;20.65,-9.32,;20.66,-10.86,;19.33,-11.64,;17.99,-10.87,;16.66,-11.65,;15.33,-10.88,;13.99,-11.65,;12.59,-11.03,;12.27,-9.52,;11.56,-12.17,;12.33,-13.5,;13.83,-13.18,;14.98,-14.21,)| Show InChI	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
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578804 (CHEMBL4846393) Show SMILES COc1cc2c3n(Cc4ccccn4)c(nc3cnc2cc1-c1c(C)noc1C)C(C)C |(3.79,-7.02,;3.79,-8.56,;5.12,-9.33,;6.45,-8.56,;7.79,-9.33,;9.11,-8.55,;9.43,-7.05,;8.39,-5.91,;8.86,-4.45,;10.37,-4.13,;10.84,-2.67,;9.81,-1.52,;8.29,-1.86,;7.83,-3.32,;10.95,-6.89,;11.58,-8.29,;10.44,-9.32,;10.46,-10.86,;9.12,-11.64,;7.79,-10.87,;6.46,-11.65,;5.12,-10.88,;3.79,-11.65,;2.39,-11.03,;2.06,-9.52,;1.35,-12.17,;2.12,-13.5,;3.63,-13.18,;4.78,-14.21,;11.72,-5.55,;13.26,-5.55,;11.5,-4.11,)| Show InChI	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
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578801 (CHEMBL4862592) Show SMILES COc1cc2c3n(Cc4ccccn4)c(C)nc3cnc2cc1-c1c(C)noc1C |(17.97,-53.92,;17.97,-55.46,;19.3,-56.23,;20.63,-55.45,;21.97,-56.22,;23.29,-55.45,;23.61,-53.94,;22.57,-52.8,;23.04,-51.34,;24.55,-51.02,;25.02,-49.56,;23.98,-48.42,;22.47,-48.75,;22.01,-50.21,;25.13,-53.78,;25.9,-52.44,;25.76,-55.18,;24.62,-56.21,;24.64,-57.75,;23.3,-58.53,;21.97,-57.76,;20.63,-58.54,;19.3,-57.77,;17.97,-58.54,;16.56,-57.92,;16.24,-56.41,;15.53,-59.06,;16.3,-60.4,;17.81,-60.08,;18.95,-61.11,)| Show InChI	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
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578801 (CHEMBL4862592) Show SMILES COc1cc2c3n(Cc4ccccn4)c(C)nc3cnc2cc1-c1c(C)noc1C |(17.97,-53.92,;17.97,-55.46,;19.3,-56.23,;20.63,-55.45,;21.97,-56.22,;23.29,-55.45,;23.61,-53.94,;22.57,-52.8,;23.04,-51.34,;24.55,-51.02,;25.02,-49.56,;23.98,-48.42,;22.47,-48.75,;22.01,-50.21,;25.13,-53.78,;25.9,-52.44,;25.76,-55.18,;24.62,-56.21,;24.64,-57.75,;23.3,-58.53,;21.97,-57.76,;20.63,-58.54,;19.3,-57.77,;17.97,-58.54,;16.56,-57.92,;16.24,-56.41,;15.53,-59.06,;16.3,-60.4,;17.81,-60.08,;18.95,-61.11,)| Show InChI	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
TBA					Assay Description Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578786 (CHEMBL4874356) Show SMILES COc1cc2c3n(CC4CCOCC4)c(nc3cnc2cc1-c1c(C)noc1C)N(C)C |(3.33,-45.38,;3.33,-46.92,;4.66,-47.69,;5.99,-46.92,;7.33,-47.69,;8.65,-46.91,;8.97,-45.41,;7.93,-44.27,;8.41,-42.81,;9.91,-42.49,;10.38,-41.03,;9.35,-39.89,;7.84,-40.21,;7.37,-41.68,;10.49,-45.25,;11.12,-46.65,;9.98,-47.68,;10,-49.22,;8.66,-50,;7.33,-49.23,;6,-50.01,;4.66,-49.24,;3.33,-50.01,;1.93,-49.39,;1.61,-47.88,;.89,-50.53,;1.66,-51.86,;3.17,-51.55,;4.32,-52.57,;11.26,-43.91,;12.8,-43.91,;11.04,-42.25,)| Show InChI	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
TBA					Assay Description Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578814 (CHEMBL4861790) Show SMILES COc1cc2c3n(CC4CCOCC4)c(nc3cnc2cc1-c1c(C)noc1C)N1CCOCC1 |(13.88,-45.91,;13.88,-47.45,;15.21,-48.22,;16.54,-47.45,;17.87,-48.21,;19.2,-47.44,;19.51,-45.94,;18.48,-44.8,;18.95,-43.33,;20.46,-43.02,;20.93,-41.56,;19.9,-40.41,;18.39,-40.73,;17.91,-42.2,;21.04,-45.78,;21.67,-47.17,;20.53,-48.2,;20.55,-49.75,;19.21,-50.53,;17.88,-49.76,;16.54,-50.54,;15.21,-49.77,;13.87,-50.53,;12.47,-49.91,;12.15,-48.41,;11.44,-51.06,;12.21,-52.39,;13.72,-52.07,;14.86,-53.1,;21.8,-44.44,;23.34,-44.44,;24.1,-43.11,;23.34,-41.78,;21.8,-41.78,;21.02,-43.12,)| Show InChI	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
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578785 (CHEMBL4878439) Show SMILES COC[C@@H](C)n1c(nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c12)C1CCOCC1 |r,wD:3.3,(18.9,-27.84,;18.43,-29.3,;19.46,-30.45,;18.99,-31.91,;17.49,-32.24,;20.03,-33.05,;21.55,-32.89,;22.18,-34.29,;21.04,-35.32,;21.06,-36.86,;19.72,-37.64,;18.39,-36.87,;17.06,-37.65,;15.72,-36.88,;14.39,-37.65,;12.99,-37.03,;12.67,-35.52,;11.95,-38.17,;12.72,-39.5,;14.23,-39.18,;15.38,-40.21,;15.72,-35.33,;14.39,-34.56,;14.39,-33.02,;17.05,-34.56,;18.39,-35.33,;19.71,-34.55,;22.32,-31.55,;23.85,-31.54,;24.62,-30.22,;23.85,-28.88,;22.31,-28.88,;21.53,-30.22,)| Show InChI	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
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578807 (CHEMBL4855128) Show SMILES COc1cc2c3n(Cc4ccccn4)c(nc3cnc2cc1-c1c(C)noc1C)C1CCOCC1 |(3.21,-19.91,;3.21,-21.45,;4.54,-22.22,;5.87,-21.45,;7.2,-22.21,;8.53,-21.44,;8.84,-19.94,;7.81,-18.8,;8.28,-17.33,;9.78,-17.02,;10.26,-15.55,;9.22,-14.41,;7.71,-14.74,;7.25,-16.21,;10.37,-19.77,;11,-21.17,;9.86,-22.2,;9.88,-23.75,;8.54,-24.52,;7.21,-23.76,;5.87,-24.54,;4.54,-23.77,;3.2,-24.53,;1.8,-23.91,;1.48,-22.41,;.77,-25.06,;1.54,-26.39,;3.05,-26.07,;4.19,-27.1,;11.13,-18.44,;12.67,-18.43,;13.43,-17.1,;12.67,-15.77,;11.12,-15.77,;10.35,-17.11,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578806 (CHEMBL4861057) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1 |(46.84,-5.14,;46.07,-6.48,;44.53,-6.48,;43.77,-7.82,;44.39,-9.22,;43.26,-10.25,;43.27,-11.8,;41.94,-12.57,;40.6,-11.8,;39.27,-12.58,;37.94,-11.81,;36.6,-12.58,;35.2,-11.96,;34.88,-10.45,;34.17,-13.1,;34.94,-14.44,;36.44,-14.12,;37.59,-15.15,;37.94,-10.27,;36.6,-9.5,;36.6,-7.96,;39.27,-9.5,;40.6,-10.26,;41.93,-9.49,;42.24,-7.99,;41.21,-6.85,;41.68,-5.38,;43.18,-5.06,;43.66,-3.6,;42.62,-2.46,;41.11,-2.79,;40.64,-4.25,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578809 (CHEMBL4875479) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1CC1CCOCC1 |(35.93,-21.22,;35.15,-19.89,;33.61,-19.89,;32.85,-21.23,;33.47,-22.63,;32.34,-23.66,;32.35,-25.21,;31.02,-25.98,;29.68,-25.21,;28.35,-25.99,;27.02,-25.22,;25.68,-25.99,;24.28,-25.37,;23.96,-23.86,;23.25,-26.51,;24.02,-27.85,;25.52,-27.53,;26.67,-28.56,;27.02,-23.68,;25.68,-22.91,;25.68,-21.37,;28.35,-22.91,;29.68,-23.67,;31.01,-22.9,;31.32,-21.4,;30.29,-20.25,;30.76,-18.79,;32.26,-18.47,;32.74,-17.01,;31.71,-15.87,;30.2,-16.19,;29.72,-17.66,)| Show InChI	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
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578795 (CHEMBL4859880) Show SMILES COc1cc2c3n(CC4CCOCC4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(16.73,-29.9,;16.73,-31.44,;18.07,-32.21,;19.39,-31.44,;20.73,-32.2,;22.06,-31.43,;22.37,-29.93,;21.34,-28.79,;21.81,-27.32,;23.31,-27,;23.78,-25.54,;22.75,-24.39,;21.24,-24.71,;20.77,-26.18,;23.89,-29.76,;24.66,-28.43,;24.52,-31.16,;23.39,-32.19,;23.4,-33.74,;22.07,-34.51,;20.73,-33.75,;19.4,-34.52,;18.06,-33.75,;16.73,-34.52,;15.33,-33.9,;15.01,-32.39,;14.3,-35.04,;15.07,-36.38,;16.57,-36.06,;17.72,-37.09,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578811 (CHEMBL4855373) Show SMILES COCC(C)n1c(nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c12)C1CCOCC1 |(7.66,-27.08,;7.19,-28.54,;8.23,-29.68,;7.75,-31.15,;6.25,-31.48,;8.79,-32.29,;10.31,-32.13,;10.94,-33.52,;9.81,-34.55,;9.82,-36.1,;8.49,-36.88,;7.15,-36.11,;5.82,-36.89,;4.48,-36.12,;3.15,-36.89,;1.75,-36.26,;1.43,-34.76,;.72,-37.41,;1.48,-38.74,;2.99,-38.42,;4.14,-39.45,;4.49,-34.57,;3.15,-33.8,;3.15,-32.26,;5.81,-33.8,;7.15,-34.57,;8.48,-33.79,;11.08,-30.79,;12.61,-30.78,;13.38,-29.45,;12.61,-28.12,;11.07,-28.12,;10.3,-29.46,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578813 (CHEMBL4853472) Show SMILES COc1cc2c3n(C(C)C4CCOCC4)c(nc3cnc2cc1-c1c(C)noc1C)C1CCOCC1 |(37,-33.67,;37,-35.21,;38.34,-35.98,;39.66,-35.21,;41,-35.97,;42.33,-35.2,;42.64,-33.7,;41.61,-32.56,;40.1,-32.89,;42.08,-31.09,;43.58,-30.78,;44.05,-29.32,;43.02,-28.17,;41.52,-28.49,;41.04,-29.96,;44.16,-33.54,;44.79,-34.93,;43.66,-35.96,;43.67,-37.51,;42.34,-38.29,;41,-37.52,;39.67,-38.3,;38.33,-37.53,;37,-38.3,;35.6,-37.67,;35.28,-36.17,;34.57,-38.82,;35.34,-40.15,;36.84,-39.83,;37.99,-40.86,;44.93,-32.2,;46.47,-32.19,;47.23,-30.86,;46.46,-29.53,;44.92,-29.53,;44.15,-30.87,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578785 (CHEMBL4878439) Show SMILES COC[C@@H](C)n1c(nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c12)C1CCOCC1 |r,wD:3.3,(18.9,-27.84,;18.43,-29.3,;19.46,-30.45,;18.99,-31.91,;17.49,-32.24,;20.03,-33.05,;21.55,-32.89,;22.18,-34.29,;21.04,-35.32,;21.06,-36.86,;19.72,-37.64,;18.39,-36.87,;17.06,-37.65,;15.72,-36.88,;14.39,-37.65,;12.99,-37.03,;12.67,-35.52,;11.95,-38.17,;12.72,-39.5,;14.23,-39.18,;15.38,-40.21,;15.72,-35.33,;14.39,-34.56,;14.39,-33.02,;17.05,-34.56,;18.39,-35.33,;19.71,-34.55,;22.32,-31.55,;23.85,-31.54,;24.62,-30.22,;23.85,-28.88,;22.31,-28.88,;21.53,-30.22,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578784 (CHEMBL4874790) Show SMILES COCCNc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1 |(36.85,-2.98,;36.09,-4.32,;34.55,-4.33,;33.78,-5.66,;32.24,-5.67,;31.48,-7,;32.11,-8.4,;30.97,-9.43,;30.98,-10.98,;29.65,-11.75,;28.31,-10.99,;26.98,-11.77,;25.65,-10.99,;24.31,-11.76,;22.91,-11.14,;22.59,-9.64,;21.88,-12.29,;22.65,-13.62,;24.16,-13.3,;25.3,-14.33,;25.65,-9.45,;24.31,-8.68,;24.31,-7.14,;26.98,-8.68,;28.31,-9.44,;29.64,-8.67,;29.95,-7.17,;28.92,-6.03,;29.39,-4.56,;30.89,-4.25,;31.37,-2.78,;30.33,-1.64,;28.82,-1.97,;28.35,-3.44,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578790 (CHEMBL4864056) Show SMILES CCCC(C)n1c2c(cnc3cc(-c4c(C)noc4C)c(OC)cc23)[nH]c1=O |(9.7,-12.51,;9.23,-13.98,;10.26,-15.12,;9.79,-16.58,;8.29,-16.91,;10.83,-17.72,;10.51,-19.22,;11.84,-19.99,;11.86,-21.53,;10.52,-22.31,;9.19,-21.54,;7.85,-22.32,;6.52,-21.55,;5.19,-22.32,;3.79,-21.7,;3.46,-20.19,;2.75,-22.84,;3.52,-24.17,;5.03,-23.86,;6.17,-24.88,;6.52,-20,;5.19,-19.23,;5.19,-17.69,;7.85,-19.23,;9.19,-20,;12.98,-18.96,;12.35,-17.56,;13.12,-16.22,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578810 (CHEMBL4849704) Show SMILES COc1cc2c3n(CC4CC4)c(nc3cnc2cc1-c1c(C)noc1C)C1CCOCC1 |(37.69,-21.65,;37.69,-23.19,;39.03,-23.96,;40.35,-23.19,;41.69,-23.96,;43.02,-23.18,;43.33,-21.68,;42.3,-20.54,;40.79,-20.87,;39.33,-20.4,;39.65,-21.91,;44.85,-21.52,;45.48,-22.92,;44.35,-23.95,;44.36,-25.49,;43.03,-26.27,;41.69,-25.5,;40.36,-26.28,;39.02,-25.51,;37.69,-26.28,;36.29,-25.66,;35.97,-24.15,;35.26,-26.8,;36.03,-28.13,;37.53,-27.81,;38.68,-28.84,;45.62,-20.18,;47.15,-20.17,;47.92,-18.85,;47.15,-17.51,;45.61,-17.51,;44.84,-18.85,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578811 (CHEMBL4855373) Show SMILES COCC(C)n1c(nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c12)C1CCOCC1 |(7.66,-27.08,;7.19,-28.54,;8.23,-29.68,;7.75,-31.15,;6.25,-31.48,;8.79,-32.29,;10.31,-32.13,;10.94,-33.52,;9.81,-34.55,;9.82,-36.1,;8.49,-36.88,;7.15,-36.11,;5.82,-36.89,;4.48,-36.12,;3.15,-36.89,;1.75,-36.26,;1.43,-34.76,;.72,-37.41,;1.48,-38.74,;2.99,-38.42,;4.14,-39.45,;4.49,-34.57,;3.15,-33.8,;3.15,-32.26,;5.81,-33.8,;7.15,-34.57,;8.48,-33.79,;11.08,-30.79,;12.61,-30.78,;13.38,-29.45,;12.61,-28.12,;11.07,-28.12,;10.3,-29.46,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578790 (CHEMBL4864056) Show SMILES CCCC(C)n1c2c(cnc3cc(-c4c(C)noc4C)c(OC)cc23)[nH]c1=O |(9.7,-12.51,;9.23,-13.98,;10.26,-15.12,;9.79,-16.58,;8.29,-16.91,;10.83,-17.72,;10.51,-19.22,;11.84,-19.99,;11.86,-21.53,;10.52,-22.31,;9.19,-21.54,;7.85,-22.32,;6.52,-21.55,;5.19,-22.32,;3.79,-21.7,;3.46,-20.19,;2.75,-22.84,;3.52,-24.17,;5.03,-23.86,;6.17,-24.88,;6.52,-20,;5.19,-19.23,;5.19,-17.69,;7.85,-19.23,;9.19,-20,;12.98,-18.96,;12.35,-17.56,;13.12,-16.22,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578803 (CHEMBL4874457) Show SMILES CCCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1 |(51.57,-49.7,;50.81,-51.04,;49.27,-51.04,;48.5,-52.38,;49.13,-53.78,;47.99,-54.81,;48.01,-56.35,;46.67,-57.13,;45.34,-56.36,;44.01,-57.14,;42.67,-56.37,;41.34,-57.14,;39.94,-56.52,;39.61,-55.01,;38.9,-57.66,;39.67,-58.99,;41.18,-58.68,;42.33,-59.7,;42.67,-54.82,;41.34,-54.06,;41.34,-52.52,;44,-54.05,;45.34,-54.82,;46.66,-54.05,;46.98,-52.54,;45.94,-51.4,;46.41,-49.94,;47.92,-49.62,;48.39,-48.16,;47.36,-47.02,;45.84,-47.35,;45.38,-48.81,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578812 (CHEMBL4875886) Show SMILES COC[C@H](C)n1c(nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c12)C1CCOCC1 |r,wU:3.3,(31.02,-28.66,;30.55,-30.12,;31.58,-31.26,;31.11,-32.73,;29.61,-33.06,;32.15,-33.87,;33.67,-33.71,;34.3,-35.1,;33.16,-36.13,;33.18,-37.68,;31.84,-38.46,;30.51,-37.69,;29.17,-38.47,;27.84,-37.7,;26.51,-38.47,;25.1,-37.84,;24.78,-36.34,;24.07,-38.99,;24.84,-40.32,;26.35,-40,;27.49,-41.03,;27.84,-36.15,;26.51,-35.38,;26.51,-33.84,;29.17,-35.38,;30.51,-36.15,;31.83,-35.37,;34.44,-32.37,;35.97,-32.36,;36.74,-31.03,;35.97,-29.7,;34.43,-29.7,;33.65,-31.04,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578796 (CHEMBL4869970) Show SMILES COc1cc2c3n(C(C)C4CCOCC4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(28.74,-29.9,;28.74,-31.44,;30.07,-32.21,;31.4,-31.44,;32.74,-32.2,;34.07,-31.43,;34.38,-29.93,;33.34,-28.79,;31.84,-29.11,;33.82,-27.32,;35.32,-27,;35.79,-25.54,;34.76,-24.39,;33.25,-24.71,;32.77,-26.18,;35.9,-29.76,;36.67,-28.43,;36.53,-31.16,;35.4,-32.19,;35.41,-33.74,;34.08,-34.51,;32.74,-33.75,;31.41,-34.52,;30.07,-33.75,;28.74,-34.52,;27.34,-33.9,;27.02,-32.39,;26.31,-35.04,;27.07,-36.38,;28.58,-36.06,;29.73,-37.09,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50380679 (CHEMBL2017286) Show SMILES COc1cc2c3n(Cc4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(44.75,-24.87,;44.75,-26.41,;46.08,-27.18,;47.41,-26.4,;48.74,-27.17,;50.07,-26.4,;50.38,-24.89,;49.61,-23.56,;50.38,-22.23,;49.6,-20.9,;50.36,-19.57,;51.91,-19.57,;52.68,-20.9,;51.91,-22.23,;51.9,-24.72,;52.66,-23.38,;52.54,-26.11,;51.41,-27.15,;51.42,-28.71,;50.08,-29.48,;48.75,-28.71,;47.41,-29.49,;46.08,-28.72,;44.74,-29.49,;44.71,-31.03,;45.94,-31.96,;43.24,-31.48,;42.36,-30.21,;43.29,-28.99,;42.84,-27.51,)| Show InChI InChI=1S/C22H19N5O3/c1-12-20(13(2)30-26-12)16-8-17-15(9-19(16)29-3)21-18(10-24-17)25-22(28)27(21)11-14-6-4-5-7-23-14/h4-10H,11H2,1-3H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578787 (CHEMBL4874801) Show SMILES COCCNc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccn1 |r,wD:27.31,(40.22,-48.31,;39.45,-46.98,;37.91,-46.98,;37.14,-45.65,;35.6,-45.65,;34.83,-46.99,;35.46,-48.39,;34.32,-49.42,;34.34,-50.97,;33,-51.74,;31.67,-50.97,;30.33,-51.75,;29,-50.98,;27.66,-51.75,;26.26,-51.13,;25.94,-49.62,;25.23,-52.27,;26,-53.61,;27.51,-53.29,;28.65,-54.32,;29,-49.44,;27.67,-48.67,;27.67,-47.13,;30.33,-48.67,;31.67,-49.43,;32.99,-48.66,;33.31,-47.16,;32.27,-46.02,;30.77,-46.34,;32.74,-44.55,;34.25,-44.23,;34.72,-42.77,;33.68,-41.63,;32.17,-41.96,;31.71,-43.42,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 in human whole blood assessed as reduction in LPS-induced IL-6 secretion preincubated for 30 mins followed by LPS stimulation and ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578805 (CHEMBL4847186) Show SMILES COc1cc2c3n(Cc4ccccn4)c(N)nc3cnc2cc1-c1c(C)noc1C |(13.99,-7.02,;13.99,-8.56,;15.33,-9.33,;16.66,-8.56,;17.99,-9.33,;19.32,-8.55,;19.63,-7.05,;18.6,-5.91,;19.07,-4.45,;20.57,-4.13,;21.05,-2.67,;20.01,-1.52,;18.5,-1.86,;18.03,-3.32,;21.16,-6.89,;21.92,-5.55,;21.78,-8.29,;20.65,-9.32,;20.66,-10.86,;19.33,-11.64,;17.99,-10.87,;16.66,-11.65,;15.33,-10.88,;13.99,-11.65,;12.59,-11.03,;12.27,-9.52,;11.56,-12.17,;12.33,-13.5,;13.83,-13.18,;14.98,-14.21,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578804 (CHEMBL4846393) Show SMILES COc1cc2c3n(Cc4ccccn4)c(nc3cnc2cc1-c1c(C)noc1C)C(C)C |(3.79,-7.02,;3.79,-8.56,;5.12,-9.33,;6.45,-8.56,;7.79,-9.33,;9.11,-8.55,;9.43,-7.05,;8.39,-5.91,;8.86,-4.45,;10.37,-4.13,;10.84,-2.67,;9.81,-1.52,;8.29,-1.86,;7.83,-3.32,;10.95,-6.89,;11.58,-8.29,;10.44,-9.32,;10.46,-10.86,;9.12,-11.64,;7.79,-10.87,;6.46,-11.65,;5.12,-10.88,;3.79,-11.65,;2.39,-11.03,;2.06,-9.52,;1.35,-12.17,;2.12,-13.5,;3.63,-13.18,;4.78,-14.21,;11.72,-5.55,;13.26,-5.55,;11.5,-4.11,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578802 (CHEMBL4862999) Show SMILES CCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1 |(39.21,-51.97,;37.67,-51.98,;36.9,-53.31,;37.53,-54.71,;36.4,-55.74,;36.41,-57.29,;35.08,-58.06,;33.74,-57.29,;32.41,-58.07,;31.07,-57.3,;29.74,-58.07,;28.34,-57.45,;28.02,-55.94,;27.31,-58.59,;28.08,-59.93,;29.58,-59.61,;30.73,-60.64,;31.08,-55.76,;29.74,-54.99,;29.74,-53.45,;32.41,-54.99,;33.74,-55.75,;35.07,-54.98,;35.38,-53.48,;34.35,-52.34,;34.82,-50.87,;36.32,-50.56,;36.79,-49.09,;35.76,-47.95,;34.25,-48.28,;33.78,-49.74,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578795 (CHEMBL4859880) Show SMILES COc1cc2c3n(CC4CCOCC4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(16.73,-29.9,;16.73,-31.44,;18.07,-32.21,;19.39,-31.44,;20.73,-32.2,;22.06,-31.43,;22.37,-29.93,;21.34,-28.79,;21.81,-27.32,;23.31,-27,;23.78,-25.54,;22.75,-24.39,;21.24,-24.71,;20.77,-26.18,;23.89,-29.76,;24.66,-28.43,;24.52,-31.16,;23.39,-32.19,;23.4,-33.74,;22.07,-34.51,;20.73,-33.75,;19.4,-34.52,;18.06,-33.75,;16.73,-34.52,;15.33,-33.9,;15.01,-32.39,;14.3,-35.04,;15.07,-36.38,;16.57,-36.06,;17.72,-37.09,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578796 (CHEMBL4869970) Show SMILES COc1cc2c3n(C(C)C4CCOCC4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(28.74,-29.9,;28.74,-31.44,;30.07,-32.21,;31.4,-31.44,;32.74,-32.2,;34.07,-31.43,;34.38,-29.93,;33.34,-28.79,;31.84,-29.11,;33.82,-27.32,;35.32,-27,;35.79,-25.54,;34.76,-24.39,;33.25,-24.71,;32.77,-26.18,;35.9,-29.76,;36.67,-28.43,;36.53,-31.16,;35.4,-32.19,;35.41,-33.74,;34.08,-34.51,;32.74,-33.75,;31.41,-34.52,;30.07,-33.75,;28.74,-34.52,;27.34,-33.9,;27.02,-32.39,;26.31,-35.04,;27.07,-36.38,;28.58,-36.06,;29.73,-37.09,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					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	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578813 (CHEMBL4853472) Show SMILES COc1cc2c3n(C(C)C4CCOCC4)c(nc3cnc2cc1-c1c(C)noc1C)C1CCOCC1 |(37,-33.67,;37,-35.21,;38.34,-35.98,;39.66,-35.21,;41,-35.97,;42.33,-35.2,;42.64,-33.7,;41.61,-32.56,;40.1,-32.89,;42.08,-31.09,;43.58,-30.78,;44.05,-29.32,;43.02,-28.17,;41.52,-28.49,;41.04,-29.96,;44.16,-33.54,;44.79,-34.93,;43.66,-35.96,;43.67,-37.51,;42.34,-38.29,;41,-37.52,;39.67,-38.3,;38.33,-37.53,;37,-38.3,;35.6,-37.67,;35.28,-36.17,;34.57,-38.82,;35.34,-40.15,;36.84,-39.83,;37.99,-40.86,;44.93,-32.2,;46.47,-32.19,;47.23,-30.86,;46.46,-29.53,;44.92,-29.53,;44.15,-30.87,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 in human whole blood assessed as reduction in LPS-induced IL-6 secretion preincubated for 30 mins followed by LPS stimulation and ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578808 (CHEMBL4862100) Show SMILES COCC(C)n1c(COC)nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c12 |(22.07,-16.23,;21.6,-17.7,;20.09,-18.03,;19.62,-19.49,;18.12,-19.82,;20.66,-20.63,;22.18,-20.47,;22.95,-19.13,;24.49,-19.13,;25.25,-17.79,;22.81,-21.87,;21.67,-22.89,;21.69,-24.44,;20.35,-25.22,;19.02,-24.45,;17.69,-25.23,;16.35,-24.46,;15.02,-25.23,;13.62,-24.6,;13.3,-23.1,;12.58,-25.75,;13.35,-27.08,;14.86,-26.76,;16.01,-27.79,;16.35,-22.91,;15.02,-22.14,;15.02,-20.6,;17.68,-22.14,;19.02,-22.91,;20.34,-22.13,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578794 (CHEMBL4877490) Show SMILES COc1cc2c3n(CC4CCCOC4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(5.08,-29.55,;5.08,-31.09,;6.41,-31.86,;7.74,-31.09,;9.08,-31.85,;10.4,-31.08,;10.72,-29.58,;9.68,-28.44,;10.15,-26.97,;9.11,-25.83,;9.59,-24.36,;11.1,-24.04,;12.13,-25.19,;11.66,-26.65,;12.24,-29.41,;13.01,-28.07,;12.87,-30.81,;11.73,-31.84,;11.75,-33.39,;10.41,-34.16,;9.08,-33.39,;7.75,-34.17,;6.41,-33.4,;5.08,-34.17,;3.68,-33.55,;3.36,-32.04,;2.64,-34.69,;3.41,-36.03,;4.92,-35.71,;6.07,-36.74,)| Show InChI	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
TBA					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578807 (CHEMBL4855128) Show SMILES COc1cc2c3n(Cc4ccccn4)c(nc3cnc2cc1-c1c(C)noc1C)C1CCOCC1 |(3.21,-19.91,;3.21,-21.45,;4.54,-22.22,;5.87,-21.45,;7.2,-22.21,;8.53,-21.44,;8.84,-19.94,;7.81,-18.8,;8.28,-17.33,;9.78,-17.02,;10.26,-15.55,;9.22,-14.41,;7.71,-14.74,;7.25,-16.21,;10.37,-19.77,;11,-21.17,;9.86,-22.2,;9.88,-23.75,;8.54,-24.52,;7.21,-23.76,;5.87,-24.54,;4.54,-23.77,;3.2,-24.53,;1.8,-23.91,;1.48,-22.41,;.77,-25.06,;1.54,-26.39,;3.05,-26.07,;4.19,-27.1,;11.13,-18.44,;12.67,-18.43,;13.43,-17.1,;12.67,-15.77,;11.12,-15.77,;10.35,-17.11,)| Show InChI	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
TBA					Assay Description Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578814 (CHEMBL4861790) Show SMILES COc1cc2c3n(CC4CCOCC4)c(nc3cnc2cc1-c1c(C)noc1C)N1CCOCC1 |(13.88,-45.91,;13.88,-47.45,;15.21,-48.22,;16.54,-47.45,;17.87,-48.21,;19.2,-47.44,;19.51,-45.94,;18.48,-44.8,;18.95,-43.33,;20.46,-43.02,;20.93,-41.56,;19.9,-40.41,;18.39,-40.73,;17.91,-42.2,;21.04,-45.78,;21.67,-47.17,;20.53,-48.2,;20.55,-49.75,;19.21,-50.53,;17.88,-49.76,;16.54,-50.54,;15.21,-49.77,;13.87,-50.53,;12.47,-49.91,;12.15,-48.41,;11.44,-51.06,;12.21,-52.39,;13.72,-52.07,;14.86,-53.1,;21.8,-44.44,;23.34,-44.44,;24.1,-43.11,;23.34,-41.78,;21.8,-41.78,;21.02,-43.12,)| Show InChI	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
TBA					Assay Description Inhibition of BRD4 in human whole blood assessed as reduction in LPS-induced IL-6 secretion preincubated for 30 mins followed by LPS stimulation and ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578786 (CHEMBL4874356) Show SMILES COc1cc2c3n(CC4CCOCC4)c(nc3cnc2cc1-c1c(C)noc1C)N(C)C |(3.33,-45.38,;3.33,-46.92,;4.66,-47.69,;5.99,-46.92,;7.33,-47.69,;8.65,-46.91,;8.97,-45.41,;7.93,-44.27,;8.41,-42.81,;9.91,-42.49,;10.38,-41.03,;9.35,-39.89,;7.84,-40.21,;7.37,-41.68,;10.49,-45.25,;11.12,-46.65,;9.98,-47.68,;10,-49.22,;8.66,-50,;7.33,-49.23,;6,-50.01,;4.66,-49.24,;3.33,-50.01,;1.93,-49.39,;1.61,-47.88,;.89,-50.53,;1.66,-51.86,;3.17,-51.55,;4.32,-52.57,;11.26,-43.91,;12.8,-43.91,;11.04,-42.25,)| Show InChI	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
TBA					Assay Description Inhibition of BRD4 in human whole blood assessed as reduction in LPS-induced IL-6 secretion preincubated for 30 mins followed by LPS stimulation and ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578810 (CHEMBL4849704) Show SMILES COc1cc2c3n(CC4CC4)c(nc3cnc2cc1-c1c(C)noc1C)C1CCOCC1 |(37.69,-21.65,;37.69,-23.19,;39.03,-23.96,;40.35,-23.19,;41.69,-23.96,;43.02,-23.18,;43.33,-21.68,;42.3,-20.54,;40.79,-20.87,;39.33,-20.4,;39.65,-21.91,;44.85,-21.52,;45.48,-22.92,;44.35,-23.95,;44.36,-25.49,;43.03,-26.27,;41.69,-25.5,;40.36,-26.28,;39.02,-25.51,;37.69,-26.28,;36.29,-25.66,;35.97,-24.15,;35.26,-26.8,;36.03,-28.13,;37.53,-27.81,;38.68,-28.84,;45.62,-20.18,;47.15,-20.17,;47.92,-18.85,;47.15,-17.51,;45.61,-17.51,;44.84,-18.85,)| Show InChI	PDB 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
TBA					Assay Description Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365463 (CHEMBL1232461) Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578812 (CHEMBL4875886) Show SMILES COC[C@H](C)n1c(nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c12)C1CCOCC1 |r,wU:3.3,(31.02,-28.66,;30.55,-30.12,;31.58,-31.26,;31.11,-32.73,;29.61,-33.06,;32.15,-33.87,;33.67,-33.71,;34.3,-35.1,;33.16,-36.13,;33.18,-37.68,;31.84,-38.46,;30.51,-37.69,;29.17,-38.47,;27.84,-37.7,;26.51,-38.47,;25.1,-37.84,;24.78,-36.34,;24.07,-38.99,;24.84,-40.32,;26.35,-40,;27.49,-41.03,;27.84,-36.15,;26.51,-35.38,;26.51,-33.84,;29.17,-35.38,;30.51,-36.15,;31.83,-35.37,;34.44,-32.37,;35.97,-32.36,;36.74,-31.03,;35.97,-29.7,;34.43,-29.7,;33.65,-31.04,)| Show InChI	PDB 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
TBA					Assay Description Inhibition of BRD4 in human whole blood assessed as reduction in LPS-induced IL-6 secretion preincubated for 30 mins followed by LPS stimulation and ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578785 (CHEMBL4878439) Show SMILES COC[C@@H](C)n1c(nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c12)C1CCOCC1 |r,wD:3.3,(18.9,-27.84,;18.43,-29.3,;19.46,-30.45,;18.99,-31.91,;17.49,-32.24,;20.03,-33.05,;21.55,-32.89,;22.18,-34.29,;21.04,-35.32,;21.06,-36.86,;19.72,-37.64,;18.39,-36.87,;17.06,-37.65,;15.72,-36.88,;14.39,-37.65,;12.99,-37.03,;12.67,-35.52,;11.95,-38.17,;12.72,-39.5,;14.23,-39.18,;15.38,-40.21,;15.72,-35.33,;14.39,-34.56,;14.39,-33.02,;17.05,-34.56,;18.39,-35.33,;19.71,-34.55,;22.32,-31.55,;23.85,-31.54,;24.62,-30.22,;23.85,-28.88,;22.31,-28.88,;21.53,-30.22,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 in human whole blood assessed as reduction in LPS-induced IL-6 secretion preincubated for 30 mins followed by LPS stimulation and ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50578809 (CHEMBL4875479) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1CC1CCOCC1 |(35.93,-21.22,;35.15,-19.89,;33.61,-19.89,;32.85,-21.23,;33.47,-22.63,;32.34,-23.66,;32.35,-25.21,;31.02,-25.98,;29.68,-25.21,;28.35,-25.99,;27.02,-25.22,;25.68,-25.99,;24.28,-25.37,;23.96,-23.86,;23.25,-26.51,;24.02,-27.85,;25.52,-27.53,;26.67,-28.56,;27.02,-23.68,;25.68,-22.91,;25.68,-21.37,;28.35,-22.91,;29.68,-23.67,;31.01,-22.9,;31.32,-21.4,;30.29,-20.25,;30.76,-18.79,;32.26,-18.47,;32.74,-17.01,;31.71,-15.87,;30.2,-16.19,;29.72,-17.66,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00855 BindingDB Entry DOI: 10.7270/Q23T9N20
					More data for this Ligand-Target Pair

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