Compile Data Set for Download or QSAR

Found 987 hits with Last Name = 'qiu' and Initial = 'w'   

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
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50512456 (CHEMBL4469414) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@@](C)(O)C3)cc(Oc3cccnc3)nc12 |r,wU:20.21,22.25,(48.46,-32.37,;49.53,-31.26,;49.1,-29.78,;50.17,-28.67,;51.66,-29.03,;52.09,-30.5,;51.03,-31.63,;51.46,-33.1,;50.39,-34.22,;52.95,-33.47,;54.02,-32.36,;55.49,-31.92,;54.38,-30.85,;49.74,-27.2,;50.69,-25.98,;49.82,-24.7,;48.34,-25.14,;47.04,-24.33,;47.09,-22.79,;45.78,-21.98,;44.42,-22.71,;43.98,-24.18,;42.51,-23.74,;41.01,-23.33,;41.41,-24.82,;42.95,-22.26,;45.69,-25.06,;45.64,-26.6,;44.29,-27.33,;44.25,-28.87,;42.89,-29.59,;42.85,-31.13,;44.16,-31.94,;45.52,-31.2,;45.56,-29.66,;46.95,-27.4,;48.29,-26.68,)| Show InChI InChI=1S/C28H30N6O3/c1-17-10-19(5-8-22(17)27(35)32-20-6-7-20)23-16-31-34-24(30-14-18-12-28(2,36)13-18)11-25(33-26(23)34)37-21-4-3-9-29-15-21/h3-5,8-11,15-16,18,20,30,36H,6-7,12-14H2,1-2H3,(H,32,35)/t18-,28+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...				ACS Med Chem Lett 7: 671-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00485 BindingDB Entry DOI: 10.7270/Q2K35Z46
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50512456 (CHEMBL4469414) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@@](C)(O)C3)cc(Oc3cccnc3)nc12 |r,wU:20.21,22.25,(48.46,-32.37,;49.53,-31.26,;49.1,-29.78,;50.17,-28.67,;51.66,-29.03,;52.09,-30.5,;51.03,-31.63,;51.46,-33.1,;50.39,-34.22,;52.95,-33.47,;54.02,-32.36,;55.49,-31.92,;54.38,-30.85,;49.74,-27.2,;50.69,-25.98,;49.82,-24.7,;48.34,-25.14,;47.04,-24.33,;47.09,-22.79,;45.78,-21.98,;44.42,-22.71,;43.98,-24.18,;42.51,-23.74,;41.01,-23.33,;41.41,-24.82,;42.95,-22.26,;45.69,-25.06,;45.64,-26.6,;44.29,-27.33,;44.25,-28.87,;42.89,-29.59,;42.85,-31.13,;44.16,-31.94,;45.52,-31.2,;45.56,-29.66,;46.95,-27.4,;48.29,-26.68,)| Show InChI InChI=1S/C28H30N6O3/c1-17-10-19(5-8-22(17)27(35)32-20-6-7-20)23-16-31-34-24(30-14-18-12-28(2,36)13-18)11-25(33-26(23)34)37-21-4-3-9-29-15-21/h3-5,8-11,15-16,18,20,30,36H,6-7,12-14H2,1-2H3,(H,32,35)/t18-,28+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...				ACS Med Chem Lett 7: 671-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00485 BindingDB Entry DOI: 10.7270/Q2K35Z46
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511849 (CHEMBL4465299) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1N1CCc2cccc(C)c12)S(=O)(=O)CC Show InChI InChI=1S/C28H30N4O4S/c1-5-29-27(33)23-15-21-22(16-31(4)28(34)25(21)30-23)20-14-19(37(35,36)6-2)10-11-24(20)32-13-12-18-9-7-8-17(3)26(18)32/h7-11,14-16,30H,5-6,12-13H2,1-4H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511850 (CHEMBL4435166) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(NC(C)=O)ccc1Oc1c(C)cccc1C Show InChI InChI=1S/C27H28N4O4/c1-6-28-26(33)22-13-20-21(14-31(5)27(34)24(20)30-22)19-12-18(29-17(4)32)10-11-23(19)35-25-15(2)8-7-9-16(25)3/h7-14,30H,6H2,1-5H3,(H,28,33)(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511875 (CHEMBL4548794) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1ccccc1Cl)S(=O)(=O)CC Show InChI InChI=1S/C25H24ClN3O5S/c1-4-27-24(30)20-13-17-18(14-29(3)25(31)23(17)28-20)16-12-15(35(32,33)5-2)10-11-21(16)34-22-9-7-6-8-19(22)26/h6-14,28H,4-5H2,1-3H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM439590 (US10633379, Example 121) Show SMILES Cc1cc(F)cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2[nH]c(cc12)C(=O)NC1CC1)C(C)(C)O Show InChI InChI=1S/C29H30FN3O4/c1-15-10-18(30)11-16(2)26(15)37-24-9-6-17(29(3,4)36)12-20(24)22-14-33(5)28(35)25-21(22)13-23(32-25)27(34)31-19-7-8-19/h6,9-14,19,32,36H,7-8H2,1-5H3,(H,31,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511864 (CHEMBL4564879) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1C)S(=O)(=O)C1CC1 Show InChI InChI=1S/C28H29N3O5S/c1-5-29-27(32)23-14-21-22(15-31(4)28(33)25(21)30-23)20-13-19(37(34,35)18-9-10-18)11-12-24(20)36-26-16(2)7-6-8-17(26)3/h6-8,11-15,18,30H,5,9-10H2,1-4H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM439461 (US10633379, Example 3 | US10633379, Example 68) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1C)C(C)(C)O Show InChI InChI=1S/C28H31N3O4/c1-7-29-26(32)22-14-20-21(15-31(6)27(33)24(20)30-22)19-13-18(28(4,5)34)11-12-23(19)35-25-16(2)9-8-10-17(25)3/h8-15,30,34H,7H2,1-6H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50081537 (CHEMBL3422092) Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CC1)c1ccccn1 |r,@:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Competitive inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate by Lineweaver-Burk plot analysis in prese...				J Med Chem 58: 3366-92 (2015) Article DOI: 10.1021/jm501740a BindingDB Entry DOI: 10.7270/Q2Q52RCN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511870 (CHEMBL4461291) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1cc(C)cc(C)c1)S(=O)(=O)CC Show InChI InChI=1S/C27H29N3O5S/c1-6-28-26(31)23-14-21-22(15-30(5)27(32)25(21)29-23)20-13-19(36(33,34)7-2)8-9-24(20)35-18-11-16(3)10-17(4)12-18/h8-15,29H,6-7H2,1-5H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511855 (CHEMBL4454597) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1ccc(F)cc1F)S(=O)(=O)CC Show InChI InChI=1S/C25H23F2N3O5S/c1-4-28-24(31)20-12-17-18(13-30(3)25(32)23(17)29-20)16-11-15(36(33,34)5-2)7-9-21(16)35-22-8-6-14(26)10-19(22)27/h6-13,29H,4-5H2,1-3H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511869 (CHEMBL4548127) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(Cl)cc1C)S(=O)(=O)CC Show InChI InChI=1S/C27H28ClN3O5S/c1-6-29-26(32)22-13-20-21(14-31(5)27(33)24(20)30-22)19-12-18(37(34,35)7-2)8-9-23(19)36-25-15(3)10-17(28)11-16(25)4/h8-14,30H,6-7H2,1-5H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511859 (CHEMBL4470856) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1ccccc1C)S(=O)(=O)CC Show InChI InChI=1S/C26H27N3O5S/c1-5-27-25(30)21-14-19-20(15-29(4)26(31)24(19)28-21)18-13-17(35(32,33)6-2)11-12-23(18)34-22-10-8-7-9-16(22)3/h7-15,28H,5-6H2,1-4H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511861 (CHEMBL4529861) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(NS(=O)(=O)CC)ccc1Oc1c(C)cccc1C Show InChI InChI=1S/C27H30N4O5S/c1-6-28-26(32)22-14-20-21(15-31(5)27(33)24(20)29-22)19-13-18(30-37(34,35)7-2)11-12-23(19)36-25-16(3)9-8-10-17(25)4/h8-15,29-30H,6-7H2,1-5H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511880 (CHEMBL4469571) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1Cl)S(=O)(=O)CC Show InChI InChI=1S/C26H26ClN3O5S/c1-5-28-25(31)21-13-18-19(14-30(4)26(32)23(18)29-21)17-12-16(36(33,34)6-2)10-11-22(17)35-24-15(3)8-7-9-20(24)27/h7-14,29H,5-6H2,1-4H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511871 (CHEMBL4454614) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1F)S(=O)(=O)CC Show InChI InChI=1S/C26H26FN3O5S/c1-5-28-25(31)21-13-18-19(14-30(4)26(32)23(18)29-21)17-12-16(36(33,34)6-2)10-11-22(17)35-24-15(3)8-7-9-20(24)27/h7-14,29H,5-6H2,1-4H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511868 (CHEMBL4560574) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1-c1cccc2cc[nH]c12)S(=O)(=O)CC Show InChI InChI=1S/C27H26N4O4S/c1-4-28-26(32)23-14-21-22(15-31(3)27(33)25(21)30-23)20-13-17(36(34,35)5-2)9-10-18(20)19-8-6-7-16-11-12-29-24(16)19/h6-15,29-30H,4-5H2,1-3H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511865 (CHEMBL4434761) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1Br)S(=O)(=O)CC Show InChI InChI=1S/C26H26BrN3O5S/c1-5-28-25(31)21-13-18-19(14-30(4)26(32)23(18)29-21)17-12-16(36(33,34)6-2)10-11-22(17)35-24-15(3)8-7-9-20(24)27/h7-14,29H,5-6H2,1-4H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM439589 (US10633379, Example 120) Show SMILES CNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O Show InChI InChI=1S/C27H28FN3O4/c1-14-9-17(28)10-15(2)24(14)35-22-8-7-16(27(3,4)34)11-18(22)20-13-31(6)26(33)23-19(20)12-21(30-23)25(32)29-5/h7-13,30,34H,1-6H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM439497 (US10633379, Example 35 | US10633379, Example 82) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O Show InChI InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	1	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 BRDT BD2 (unknown origin) after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM439494 (US10633379, Example 32) Show SMILES Cc1cccc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2[nH]c(cc12)C(=O)NC(C)(C)C)C(C)(C)O Show InChI InChI=1S/C30H35N3O4/c1-17-10-9-11-18(2)26(17)37-24-13-12-19(30(6,7)36)14-20(24)22-16-33(8)28(35)25-21(22)15-23(31-25)27(34)32-29(3,4)5/h9-16,31,36H,1-8H3,(H,32,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM439592 (US10633379, Example 123) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C1(O)COC1 Show InChI InChI=1S/C28H28FN3O5/c1-5-30-26(33)22-11-20-21(12-32(4)27(34)24(20)31-22)19-10-17(28(35)13-36-14-28)6-7-23(19)37-25-15(2)8-18(29)9-16(25)3/h6-12,31,35H,5,13-14H2,1-4H3,(H,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511854 (CHEMBL4471851) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1C)S(N)(=O)=O Show InChI InChI=1S/C25H26N4O5S/c1-5-27-24(30)20-12-18-19(13-29(4)25(31)22(18)28-20)17-11-16(35(26,32)33)9-10-21(17)34-23-14(2)7-6-8-15(23)3/h6-13,28H,5H2,1-4H3,(H,27,30)(H2,26,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511856 (CHEMBL4466931) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(NS(=O)(=O)CC)ccc1Oc1c(C)cc(F)cc1C Show InChI InChI=1S/C27H29FN4O5S/c1-6-29-26(33)22-13-20-21(14-32(5)27(34)24(20)30-22)19-12-18(31-38(35,36)7-2)8-9-23(19)37-25-15(3)10-17(28)11-16(25)4/h8-14,30-31H,6-7H2,1-5H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511866 (CHEMBL4461289) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(NC(C)=O)ccc1Oc1c(C)cc(F)cc1C Show InChI InChI=1S/C27H27FN4O4/c1-6-29-26(34)22-12-20-21(13-32(5)27(35)24(20)31-22)19-11-18(30-16(4)33)7-8-23(19)36-25-14(2)9-17(28)10-15(25)3/h7-13,31H,6H2,1-5H3,(H,29,34)(H,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511876 (CHEMBL4462804) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1C)S(=O)(=O)CC Show InChI InChI=1S/C27H29N3O5S/c1-6-28-26(31)22-14-20-21(15-30(5)27(32)24(20)29-22)19-13-18(36(33,34)7-2)11-12-23(19)35-25-16(3)9-8-10-17(25)4/h8-15,29H,6-7H2,1-5H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.10	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511872 (CHEMBL4443563) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1-n1ccc2cccc(C)c12)S(=O)(=O)CC Show InChI InChI=1S/C28H28N4O4S/c1-5-29-27(33)23-15-21-22(16-31(4)28(34)25(21)30-23)20-14-19(37(35,36)6-2)10-11-24(20)32-13-12-18-9-7-8-17(3)26(18)32/h7-16,30H,5-6H2,1-4H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511882 (CHEMBL4539875) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1-c1ccccc1C)S(=O)(=O)CC Show InChI InChI=1S/C26H27N3O4S/c1-5-27-25(30)23-14-21-22(15-29(4)26(31)24(21)28-23)20-13-17(34(32,33)6-2)11-12-19(20)18-10-8-7-9-16(18)3/h7-15,28H,5-6H2,1-4H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM220663 (US9296741, 252) Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc([nH]c2c1=O)C(N)=O Show InChI InChI=1S/C22H17F2N3O5S/c1-27-10-15(14-9-17(21(25)28)26-20(14)22(27)29)13-8-12(33(2,30)31)4-6-18(13)32-19-5-3-11(23)7-16(19)24/h3-10,26H,1-2H3,(H2,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM439599 (US10633379, Example 129) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C1(O)CCOCC1 Show InChI InChI=1S/C30H32FN3O5/c1-5-32-28(35)24-15-22-23(16-34(4)29(36)26(22)33-24)21-14-19(30(37)8-10-38-11-9-30)6-7-25(21)39-27-17(2)12-20(31)13-18(27)3/h6-7,12-16,33,37H,5,8-11H2,1-4H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511853 (CHEMBL4483338) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1C)S(C)(=O)=O Show InChI InChI=1S/C26H27N3O5S/c1-6-27-25(30)21-13-19-20(14-29(4)26(31)23(19)28-21)18-12-17(35(5,32)33)10-11-22(18)34-24-15(2)8-7-9-16(24)3/h7-14,28H,6H2,1-5H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM439540 (US10633379, Example 75) Show SMILES Cc1cc(F)cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2[nH]c(cc12)C(=O)NC12CC(C1)C2)C(C)(C)O Show InChI InChI=1S/C31H32FN3O4/c1-16-8-20(32)9-17(2)27(16)39-25-7-6-19(30(3,4)38)10-21(25)23-15-35(5)29(37)26-22(23)11-24(33-26)28(36)34-31-12-18(13-31)14-31/h6-11,15,18,33,38H,12-14H2,1-5H3,(H,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM439498 (US10633379, Example 36) Show SMILES Cc1cc(F)cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2[nH]c(cc12)C(=O)NC(C)(C)C)C(C)(C)O Show InChI InChI=1S/C30H34FN3O4/c1-16-11-19(31)12-17(2)26(16)38-24-10-9-18(30(6,7)37)13-20(24)22-15-34(8)28(36)25-21(22)14-23(32-25)27(35)33-29(3,4)5/h9-15,32,37H,1-8H3,(H,33,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511881 (CHEMBL4589568) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)S(=O)(=O)CC Show InChI InChI=1S/C27H28FN3O5S/c1-6-29-26(32)22-13-20-21(14-31(5)27(33)24(20)30-22)19-12-18(37(34,35)7-2)8-9-23(19)36-25-15(3)10-17(28)11-16(25)4/h8-14,30H,6-7H2,1-5H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM220664 (US10633379, Compound Y | US9296741, 253) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1ccc(F)cc1F)S(C)(=O)=O Show InChI InChI=1S/C24H21F2N3O5S/c1-4-27-23(30)19-11-16-17(12-29(2)24(31)22(16)28-19)15-10-14(35(3,32)33)6-8-20(15)34-21-7-5-13(25)9-18(21)26/h5-12,28H,4H2,1-3H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.30	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM439591 (US10633379, Example 122) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C1(O)CCC1 Show InChI InChI=1S/C29H30FN3O4/c1-5-31-27(34)23-14-21-22(15-33(4)28(35)25(21)32-23)20-13-18(29(36)9-6-10-29)7-8-24(20)37-26-16(2)11-19(30)12-17(26)3/h7-8,11-15,32,36H,5-6,9-10H2,1-4H3,(H,31,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM439497 (US10633379, Example 35 | US10633379, Example 82) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O Show InChI InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	1.60	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511863 (CHEMBL4554545) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(CO)ccc1Oc1c(C)cccc1C Show InChI InChI=1S/C26H27N3O4/c1-5-27-25(31)21-12-19-20(13-29(4)26(32)23(19)28-21)18-11-17(14-30)9-10-22(18)33-24-15(2)7-6-8-16(24)3/h6-13,28,30H,5,14H2,1-4H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511862 (CHEMBL4449740) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1C)C(=O)NCC Show InChI InChI=1S/C28H30N4O4/c1-6-29-26(33)18-11-12-23(36-25-16(3)9-8-10-17(25)4)19(13-18)21-15-32(5)28(35)24-20(21)14-22(31-24)27(34)30-7-2/h8-15,31H,6-7H2,1-5H3,(H,29,33)(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511851 (CHEMBL4590365) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1-n1ccc2ccccc12)S(=O)(=O)CC Show InChI InChI=1S/C27H26N4O4S/c1-4-28-26(32)22-15-20-21(16-30(3)27(33)25(20)29-22)19-14-18(36(34,35)5-2)10-11-24(19)31-13-12-17-8-6-7-9-23(17)31/h6-16,29H,4-5H2,1-3H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM439524 (US10633379, Example 60) Show SMILES Cc1cc(F)cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2[nH]c(cc12)C(=O)NC1(C)CC1(F)F)C(C)(C)O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511873 (CHEMBL4555653) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1ccccc1C(C)(C)C)S(=O)(=O)CC Show InChI InChI=1S/C29H33N3O5S/c1-7-30-27(33)23-16-20-21(17-32(6)28(34)26(20)31-23)19-15-18(38(35,36)8-2)13-14-24(19)37-25-12-10-9-11-22(25)29(3,4)5/h9-17,31H,7-8H2,1-6H3,(H,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511867 (CHEMBL4586647) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1C(F)F)S(=O)(=O)CC Show InChI InChI=1S/C27H27F2N3O5S/c1-5-30-26(33)21-13-19-20(14-32(4)27(34)23(19)31-21)18-12-16(38(35,36)6-2)10-11-22(18)37-24-15(3)8-7-9-17(24)25(28)29/h7-14,25,31H,5-6H2,1-4H3,(H,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511877 (CHEMBL4579396) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1C)C(O)=O Show InChI InChI=1S/C26H25N3O5/c1-5-27-24(30)20-12-18-19(13-29(4)25(31)22(18)28-20)17-11-16(26(32)33)9-10-21(17)34-23-14(2)7-6-8-15(23)3/h6-13,28H,5H2,1-4H3,(H,27,30)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511860 (CHEMBL4533567) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(NC(=O)OC)ccc1Oc1c(C)cc(F)cc1C Show InChI InChI=1S/C27H27FN4O5/c1-6-29-25(33)21-12-19-20(13-32(4)26(34)23(19)31-21)18-11-17(30-27(35)36-5)7-8-22(18)37-24-14(2)9-16(28)10-15(24)3/h7-13,31H,6H2,1-5H3,(H,29,33)(H,30,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM17290 (E2-adenosine hybrid compound, 8 | EM-1745 | EM1745...) Show SMILES [H][C@@]12CC(CCCCCCCCC(=O)OCC3OC(C(O)C3O)n3cnc4c(N)ncnc34)[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C37H51N5O7/c1-37-15-14-25-24-13-11-23(43)16-21(24)10-12-26(25)27(37)17-22(33(37)47)8-6-4-2-3-5-7-9-29(44)48-18-28-31(45)32(46)36(49-28)42-20-41-30-34(38)39-19-40-35(30)42/h11,13,16,19-20,22,25-28,31-33,36,43,45-47H,2-10,12,14-15,17-18H2,1H3,(H2,38,39,40)/t22?,25-,26-,27+,28?,31?,32?,33+,36?,37+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3	-50.6	n/a	n/a	n/a	n/a	n/a	7.5	37
CHUL					Assay Description For steady-state kinetic study of hybrid inhibitors, a Fluorolog 3 instrument was used to monitor the fluorescent signal of NADPH formed during estra...				FASEB J 16: 1829-31 (2002) Article DOI: 10.1096/fj.02-0026fje BindingDB Entry DOI: 10.7270/Q23T9FGW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511858 (CHEMBL4440089) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1C#N)S(=O)(=O)CC Show InChI InChI=1S/C27H26N4O5S/c1-5-29-26(32)22-13-20-21(15-31(4)27(33)24(20)30-22)19-12-18(37(34,35)6-2)10-11-23(19)36-25-16(3)8-7-9-17(25)14-28/h7-13,15,30H,5-6H2,1-4H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM25117 (AG-013736 | AXITINIB | N-methyl-2-({3-[(E)-2-(pyri...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1 Show InChI InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of PLK4 (unknown origin)				J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm500537u BindingDB Entry DOI: 10.7270/Q2125V9W
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511852 (CHEMBL4568610) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Nc1c(C)cccc1C)S(C)(=O)=O Show InChI InChI=1S/C26H28N4O4S/c1-6-27-25(31)22-13-19-20(14-30(4)26(32)24(19)29-22)18-12-17(35(5,33)34)10-11-21(18)28-23-15(2)8-7-9-16(23)3/h7-14,28-29H,6H2,1-5H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	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 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM439497 (US10633379, Example 35 | US10633379, Example 82) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O Show InChI InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	4.60	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 N-terminal His6-tagged human BRD2 BD2 (348 to 455 residues) after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair

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