Compile Data Set for Download or QSAR

Found 80 hits Enz. Inhib. hit(s) with all data for entry = 50000946   

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))	BDBM50265666 (CHEMBL4068431) Show SMILES CCS(=O)(=O)Nc1cnc2Oc3c(F)cc(F)cc3CCCCOc3cc(=O)n(C)cc3-c2c1 Show InChI InChI=1S/C23H23F2N3O5S/c1-3-34(30,31)27-16-10-17-18-13-28(2)21(29)11-20(18)32-7-5-4-6-14-8-15(24)9-19(25)22(14)33-23(17)26-12-16/h8-13,27H,3-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265655 (CHEMBL4099010) Show SMILES CCS(=O)(=O)Nc1ccc2Oc3c(F)cc(F)cc3CCCCOc3cc(=O)n(C)cc3-c2c1 Show InChI InChI=1S/C24H24F2N2O5S/c1-3-34(30,31)27-17-7-8-21-18(12-17)19-14-28(2)23(29)13-22(19)32-9-5-4-6-15-10-16(25)11-20(26)24(15)33-21/h7-8,10-14,27H,3-6,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265637 (CHEMBL4073279) Show SMILES CCS(=O)(=O)Nc1ccc2Oc3ccc(Cl)cc3CCCCOc3cc(=O)n(C)cc3-c2c1 Show InChI InChI=1S/C24H25ClN2O5S/c1-3-33(29,30)26-18-8-10-22-19(13-18)20-15-27(2)24(28)14-23(20)31-11-5-4-6-16-12-17(25)7-9-21(16)32-22/h7-10,12-15,26H,3-6,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265636 (CHEMBL4090068) Show SMILES CCS(=O)(=O)c1ccc2Oc3ccccc3CCCCOc3cc(=O)n(C)cc3-c2c1 Show InChI InChI=1S/C24H25NO5S/c1-3-31(27,28)18-11-12-22-19(14-18)20-16-25(2)24(26)15-23(20)29-13-7-6-9-17-8-4-5-10-21(17)30-22/h4-5,8,10-12,14-16H,3,6-7,9,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260099 (CHEMBL4075567) Show SMILES CCS(=O)(=O)c1ccc2Oc3ccc(Cl)cc3CCCCOc3cc(=O)n(C)cc3-c2c1 Show InChI InChI=1S/C24H24ClNO5S/c1-3-32(28,29)18-8-10-22-19(13-18)20-15-26(2)24(27)14-23(20)30-11-5-4-6-16-12-17(25)7-9-21(16)31-22/h7-10,12-15H,3-6,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265623 (CHEMBL4091597) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClN2O5S/c1-4-29-21-13-22(26)25(3)14-19(21)18-12-16(24-31(27,28)5-2)8-11-20(18)30-17-9-6-15(23)7-10-17/h6-14,24H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265653 (CHEMBL4094644) Show SMILES CCS(=O)(=O)Nc1ccc2Oc3ccc(Cl)cc3CCCCCOc3cc(=O)n(C)cc3-c2c1 Show InChI InChI=1S/C25H27ClN2O5S/c1-3-34(30,31)27-19-9-11-23-20(14-19)21-16-28(2)25(29)15-24(21)32-12-6-4-5-7-17-13-18(26)8-10-22(17)33-23/h8-11,13-16,27H,3-7,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265657 (CHEMBL4075776) Show SMILES CCS(=O)(=O)Nc1cnc2Oc3ccc(Cl)cc3CCCCOc3cc(=O)n(C)cc3-c2c1 Show InChI InChI=1S/C23H24ClN3O5S/c1-3-33(29,30)26-17-11-18-19-14-27(2)22(28)12-21(19)31-9-5-4-6-15-10-16(24)7-8-20(15)32-23(18)25-13-17/h7-8,10-14,26H,3-6,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265659 (CHEMBL4089651) Show SMILES Cn1cc-2c(OCCCCc3cc(Cl)ccc3Oc3ccc(CS(C)(=O)=O)cc-23)cc1=O Show InChI InChI=1S/C24H24ClNO5S/c1-26-14-20-19-11-16(15-32(2,28)29)6-8-22(19)31-21-9-7-18(25)12-17(21)5-3-4-10-30-23(20)13-24(26)27/h6-9,11-14H,3-5,10,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265662 (CHEMBL4078875) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccccc1 Show InChI InChI=1S/C22H24N2O5S/c1-4-28-21-14-22(25)24(3)15-19(21)18-13-16(23-30(26,27)5-2)11-12-20(18)29-17-9-7-6-8-10-17/h6-15,23H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265625 (CHEMBL4082889) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(F)cc1F Show InChI InChI=1S/C22H22F2N2O5S/c1-4-30-21-12-22(27)26(3)13-17(21)16-11-15(25-32(28,29)5-2)7-9-19(16)31-20-8-6-14(23)10-18(20)24/h6-13,25H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265663 (CHEMBL4083819) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C23H23F3N2O6S/c1-4-32-21-13-22(29)28(3)14-19(21)18-12-15(27-35(30,31)5-2)6-11-20(18)33-16-7-9-17(10-8-16)34-23(24,25)26/h6-14,27H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265622 (CHEMBL4063808) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(F)cc1 Show InChI InChI=1S/C22H23FN2O5S/c1-4-29-21-13-22(26)25(3)14-19(21)18-12-16(24-31(27,28)5-2)8-11-20(18)30-17-9-6-15(23)7-10-17/h6-14,24H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265629 (CHEMBL4102713) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)cc1OCC(C)C Show InChI InChI=1S/C24H26F2N2O5S/c1-5-34(30,31)27-17-7-9-21(33-22-8-6-16(25)10-20(22)26)18(11-17)19-13-28(4)24(29)12-23(19)32-14-15(2)3/h6-13,15,27H,5,14H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265635 (CHEMBL4068991) Show SMILES CCS(=O)(=O)c1ccc2Oc3ccccc3CCCOc3cc(=O)n(C)cc3-c2c1 Show InChI InChI=1S/C23H23NO5S/c1-3-30(26,27)17-10-11-21-18(13-17)19-15-24(2)23(25)14-22(19)28-12-6-8-16-7-4-5-9-20(16)29-21/h4-5,7,9-11,13-15H,3,6,8,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265661 (CHEMBL4103153) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1cn(C)c(=O)cc1OC Show InChI InChI=1S/C21H22N2O5S/c1-4-29(25,26)22-15-10-11-19(28-16-8-6-5-7-9-16)17(12-15)18-14-23(2)21(24)13-20(18)27-3/h5-14,22H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265671 (CHEMBL4059680) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)cnc1Oc1ccc(F)cc1F Show InChI InChI=1S/C21H21F2N3O5S/c1-4-30-19-10-20(27)26(3)12-16(19)15-9-14(25-32(28,29)5-2)11-24-21(15)31-18-7-6-13(22)8-17(18)23/h6-12,25H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265656 (CHEMBL4075757) Show SMILES CCS(=O)(=O)c1cnc2Oc3ccc(Cl)cc3CCCCOc3cc(=O)n(C)cc3-c2c1 Show InChI InChI=1S/C23H23ClN2O5S/c1-3-32(28,29)17-11-18-19-14-26(2)22(27)12-21(19)30-9-5-4-6-15-10-16(24)7-8-20(15)31-23(18)25-13-17/h7-8,10-14H,3-6,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265665 (CHEMBL4083186) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)cc1OC1COC1 Show InChI InChI=1S/C23H22F2N2O6S/c1-3-34(29,30)26-15-5-7-20(33-21-6-4-14(24)8-19(21)25)17(9-15)18-11-27(2)23(28)10-22(18)32-16-12-31-13-16/h4-11,16,26H,3,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265658 (CHEMBL4077124) Show SMILES Cn1cc-2c(OCCCCc3cc(Cl)ccc3Oc3ncc(CS(C)(=O)=O)cc-23)cc1=O Show InChI InChI=1S/C23H23ClN2O5S/c1-26-13-19-18-9-15(14-32(2,28)29)12-25-23(18)31-20-7-6-17(24)10-16(20)5-3-4-8-30-21(19)11-22(26)27/h6-7,9-13H,3-5,8,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265633 (CHEMBL4071697) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)S(=O)(=O)CC Show InChI InChI=1S/C22H21F2NO5S/c1-4-29-21-12-22(26)25(3)13-17(21)16-11-15(31(27,28)5-2)7-9-19(16)30-20-8-6-14(23)10-18(20)24/h6-13H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265627 (CHEMBL4099335) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)cc1OC Show InChI InChI=1S/C21H20F2N2O5S/c1-4-31(27,28)24-14-6-8-18(30-19-7-5-13(22)9-17(19)23)15(10-14)16-12-25(2)21(26)11-20(16)29-3/h5-12,24H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265632 (CHEMBL4093439) Show SMILES CCNc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(F)cc1F Show InChI InChI=1S/C22H23F2N3O4S/c1-4-25-19-12-22(28)27(3)13-17(19)16-11-15(26-32(29,30)5-2)7-9-20(16)31-21-8-6-14(23)10-18(21)24/h6-13,25-26H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265624 (CHEMBL4101823) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(cc1)C#N Show InChI InChI=1S/C23H23N3O5S/c1-4-30-22-13-23(27)26(3)15-20(22)19-12-17(25-32(28,29)5-2)8-11-21(19)31-18-9-6-16(14-24)7-10-18/h6-13,15,25H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM179283 (US9125915, compound 6) Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |r,c:6| Show InChI InChI=1S/C20H19ClN4O2S/c1-10-11(2)28-20-17(10)18(13-5-7-14(21)8-6-13)22-15(9-16(26)27-4)19-24-23-12(3)25(19)20/h5-8,15H,9H2,1-4H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265626 (CHEMBL4061006) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1cccnc1 Show InChI InChI=1S/C21H23N3O5S/c1-4-28-20-12-21(25)24(3)14-18(20)17-11-15(23-30(26,27)5-2)8-9-19(17)29-16-7-6-10-22-13-16/h6-14,23H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265628 (CHEMBL4078459) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)cc1OCC(F)(F)F Show InChI InChI=1S/C22H19F5N2O5S/c1-3-35(31,32)28-14-5-7-18(34-19-6-4-13(23)8-17(19)24)15(9-14)16-11-29(2)21(30)10-20(16)33-12-22(25,26)27/h4-11,28H,3,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265660 (CHEMBL4091093) Show SMILES COc1cc(=O)n(C)cc1-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1 Show InChI InChI=1S/C20H20N2O5S/c1-22-13-17(19(26-2)12-20(22)23)16-11-14(21-28(3,24)25)9-10-18(16)27-15-7-5-4-6-8-15/h4-13,21H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265630 (CHEMBL4101187) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)cc1OCC(C)(C)O Show InChI InChI=1S/C24H26F2N2O6S/c1-5-35(31,32)27-16-7-9-20(34-21-8-6-15(25)10-19(21)26)17(11-16)18-13-28(4)23(29)12-22(18)33-14-24(2,3)30/h6-13,27,30H,5,14H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265672 (CHEMBL4063083) Show SMILES CCS(=O)(=O)c1ccc2Oc3ccccc3CCOc3cc(=O)n(C)cc3-c2c1 Show InChI InChI=1S/C22H21NO5S/c1-3-29(25,26)16-8-9-20-17(12-16)18-14-23(2)22(24)13-21(18)27-11-10-15-6-4-5-7-19(15)28-20/h4-9,12-14H,3,10-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265664 (CHEMBL4072399) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1OC1CCC(F)(F)CC1 Show InChI InChI=1S/C22H28F2N2O5S/c1-4-30-20-13-21(27)26(3)14-18(20)17-12-15(25-32(28,29)5-2)6-7-19(17)31-16-8-10-22(23,24)11-9-16/h6-7,12-14,16,25H,4-5,8-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265634 (CHEMBL4090979) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(CS(C)(=O)=O)ccc1Oc1ccc(F)cc1F Show InChI InChI=1S/C22H21F2NO5S/c1-4-29-21-11-22(26)25(2)12-17(21)16-9-14(13-31(3,27)28)5-7-19(16)30-20-8-6-15(23)10-18(20)24/h5-12H,4,13H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265612 (CHEMBL4072862) Show SMILES COc1cc(=O)n(C)nc1-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1 Show InChI InChI=1S/C19H19N3O5S/c1-22-18(23)12-17(26-2)19(20-22)15-11-13(21-28(3,24)25)9-10-16(15)27-14-7-5-4-6-8-14/h4-12,21H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265631 (CHEMBL4072714) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)cc1OCCN1CCOCC1 Show InChI InChI=1S/C26H29F2N3O6S/c1-3-38(33,34)29-19-5-7-23(37-24-6-4-18(27)14-22(24)28)20(15-19)21-17-30(2)26(32)16-25(21)36-13-10-31-8-11-35-12-9-31/h4-7,14-17,29H,3,8-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265609 (CHEMBL4070131) Show SMILES COc1cc(=O)n(C)cc1-c1ccccc1Oc1ccccc1 Show InChI InChI=1S/C19H17NO3/c1-20-13-16(18(22-2)12-19(20)21)15-10-6-7-11-17(15)23-14-8-4-3-5-9-14/h3-13H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265611 (CHEMBL4099746) Show SMILES COc1cc(=O)n(C)nc1-c1cc(NC(C)=O)ccc1Oc1ccccc1 Show InChI InChI=1S/C20H19N3O4/c1-13(24)21-14-9-10-17(27-15-7-5-4-6-8-15)16(11-14)20-18(26-3)12-19(25)23(2)22-20/h4-12H,1-3H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265652 (CHEMBL4092002) Show SMILES COc1cc(=O)n(C)nc1-c1ccccc1Oc1ccccc1 Show InChI InChI=1S/C18H16N2O3/c1-20-17(21)12-16(22-2)18(19-20)14-10-6-7-11-15(14)23-13-8-4-3-5-9-13/h3-12H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265604 (CHEMBL4061472) Show SMILES CCOC(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1nn(C)c(=O)cc1OC Show InChI InChI=1S/C21H21N3O5/c1-4-28-21(26)22-14-10-11-17(29-15-8-6-5-7-9-15)16(12-14)20-18(27-3)13-19(25)24(2)23-20/h5-13H,4H2,1-3H3,(H,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265610 (CHEMBL4064267) Show SMILES COc1cc(=O)n(C)nc1-c1cc(N)ccc1Oc1ccccc1 Show InChI InChI=1S/C18H17N3O3/c1-21-17(22)11-16(23-2)18(20-21)14-10-12(19)8-9-15(14)24-13-6-4-3-5-7-13/h3-11H,19H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265605 (CHEMBL4083304) Show SMILES CCNC(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1nn(C)c(=O)cc1OC Show InChI InChI=1S/C21H22N4O4/c1-4-22-21(27)23-14-10-11-17(29-15-8-6-5-7-9-15)16(12-14)20-18(28-3)13-19(26)25(2)24-20/h5-13H,4H2,1-3H3,(H2,22,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265654 (CHEMBL4068525) Show SMILES CNc1cc(=O)n(C)nc1-c1ccccc1 Show InChI InChI=1S/C12H13N3O/c1-13-10-8-11(16)15(2)14-12(10)9-6-4-3-5-7-9/h3-8,13H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265604 (CHEMBL4061472) Show SMILES CCOC(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1nn(C)c(=O)cc1OC Show InChI InChI=1S/C21H21N3O5/c1-4-28-21(26)22-14-10-11-17(29-15-8-6-5-7-9-15)16(12-14)20-18(27-3)13-19(25)24(2)23-20/h5-13H,4H2,1-3H3,(H,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265605 (CHEMBL4083304) Show SMILES CCNC(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1nn(C)c(=O)cc1OC Show InChI InChI=1S/C21H22N4O4/c1-4-22-21(27)23-14-10-11-17(29-15-8-6-5-7-9-15)16(12-14)20-18(28-3)13-19(26)25(2)24-20/h5-13H,4H2,1-3H3,(H2,22,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265609 (CHEMBL4070131) Show SMILES COc1cc(=O)n(C)cc1-c1ccccc1Oc1ccccc1 Show InChI InChI=1S/C19H17NO3/c1-20-13-16(18(22-2)12-19(20)21)15-10-6-7-11-17(15)23-14-8-4-3-5-9-14/h3-13H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265610 (CHEMBL4064267) Show SMILES COc1cc(=O)n(C)nc1-c1cc(N)ccc1Oc1ccccc1 Show InChI InChI=1S/C18H17N3O3/c1-21-17(22)11-16(23-2)18(20-21)14-10-12(19)8-9-15(14)24-13-6-4-3-5-7-13/h3-11H,19H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265611 (CHEMBL4099746) Show SMILES COc1cc(=O)n(C)nc1-c1cc(NC(C)=O)ccc1Oc1ccccc1 Show InChI InChI=1S/C20H19N3O4/c1-13(24)21-14-9-10-17(27-15-7-5-4-6-8-15)16(11-14)20-18(26-3)12-19(25)23(2)22-20/h4-12H,1-3H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	370	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265612 (CHEMBL4072862) Show SMILES COc1cc(=O)n(C)nc1-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1 Show InChI InChI=1S/C19H19N3O5S/c1-22-18(23)12-17(26-2)19(20-22)15-11-13(21-28(3,24)25)9-10-16(15)27-14-7-5-4-6-8-14/h4-12,21H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265622 (CHEMBL4063808) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(F)cc1 Show InChI InChI=1S/C22H23FN2O5S/c1-4-29-21-13-22(26)25(3)14-19(21)18-12-16(24-31(27,28)5-2)8-11-20(18)30-17-9-6-15(23)7-10-17/h6-14,24H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	69	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265623 (CHEMBL4091597) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClN2O5S/c1-4-29-21-13-22(26)25(3)14-19(21)18-12-16(24-31(27,28)5-2)8-11-20(18)30-17-9-6-15(23)7-10-17/h6-14,24H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265624 (CHEMBL4101823) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(cc1)C#N Show InChI InChI=1S/C23H23N3O5S/c1-4-30-22-13-23(27)26(3)15-20(22)19-12-17(25-32(28,29)5-2)8-11-21(19)31-18-9-6-16(14-24)7-10-18/h6-13,15,25H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair

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