Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50002879   

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
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50464129 (CHEMBL4244134) Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCC(F)(F)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C28H34F2N4O2/c1-17-11-20(14-32-13-17)21-3-4-24(26-22(21)12-18(2)27(35)34-26)33-23-7-10-31-15-25(23)36-16-19-5-8-28(29,30)9-6-19/h3-4,11-14,19,23,25,31,33H,5-10,15-16H2,1-2H3,(H,34,35)/t23-,25-/m1/s1	PDB MMDB 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50464128 (CHEMBL4206758) Show SMILES CO[C@H]1CNC[C@@H](OCC2CCC(F)(F)CC2)[C@@H]1Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12 |r| Show InChI InChI=1S/C28H35F2N5O3/c1-16-8-19(11-31-10-16)21-12-33-26(24-20(21)9-17(2)27(36)35-24)34-25-22(37-3)13-32-14-23(25)38-15-18-4-6-28(29,30)7-5-18/h8-12,18,22-23,25,32H,4-7,13-15H2,1-3H3,(H,33,34)(H,35,36)/t22-,23+,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50464134 (CHEMBL4242484) Show SMILES [H][C@]12CC[C@]([H])(N1)[C@@H](CCC1CCC(F)(F)CC1)[C@@H](C2)Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12 |r| Show InChI InChI=1S/C30H37F2N5O/c1-17-11-20(15-33-14-17)24-16-34-28(27-23(24)12-18(2)29(38)37-27)36-26-13-21-4-6-25(35-21)22(26)5-3-19-7-9-30(31,32)10-8-19/h11-12,14-16,19,21-22,25-26,35H,3-10,13H2,1-2H3,(H,34,36)(H,37,38)/t21-,22-,25+,26-/m1/s1	PDB MMDB 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50098251 (CHEMBL3590391) Show SMILES Cc1cc2c(cnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2[nH]c1=O)-c1cncc(N)c1 |r| Show InChI InChI=1S/C26H34N6O2/c1-16-9-20-21(18-10-19(27)12-29-11-18)13-30-25(24(20)32-26(16)33)31-22-7-8-28-14-23(22)34-15-17-5-3-2-4-6-17/h9-13,17,22-23,28H,2-8,14-15,27H2,1H3,(H,30,31)(H,32,33)/t22-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50464127 (CHEMBL4250812) Show SMILES CO[C@H]1CNC[C@@H](OCC2CCS(=O)(=O)CC2)[C@@H]1Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12 |r| Show InChI InChI=1S/C27H35N5O5S/c1-16-8-19(11-28-10-16)21-12-30-26(24-20(21)9-17(2)27(33)32-24)31-25-22(36-3)13-29-14-23(25)37-15-18-4-6-38(34,35)7-5-18/h8-12,18,22-23,25,29H,4-7,13-15H2,1-3H3,(H,30,31)(H,32,33)/t22-,23+,25+/m0/s1	PDB MMDB 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50098301 (CHEMBL3590383) Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50098305 (CHEMBL3590405) Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50464130 (CHEMBL4246358) Show SMILES CO[C@H]1CNC[C@@H](OCC2CCOCC2)[C@@H]1Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12 |r| Show InChI InChI=1S/C27H35N5O4/c1-16-8-19(11-28-10-16)21-12-30-26(24-20(21)9-17(2)27(33)32-24)31-25-22(34-3)13-29-14-23(25)36-15-18-4-6-35-7-5-18/h8-12,18,22-23,25,29H,4-7,13-15H2,1-3H3,(H,30,31)(H,32,33)/t22-,23+,25+/m0/s1	PDB MMDB 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50098250 (CHEMBL3590389) Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCCCC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C27H35N5O2/c1-17-10-20(13-29-12-17)22-14-30-26(25-21(22)11-18(2)27(33)32-25)31-23-8-9-28-15-24(23)34-16-19-6-4-3-5-7-19/h10-14,19,23-24,28H,3-9,15-16H2,1-2H3,(H,30,31)(H,32,33)/t23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50464132 (CHEMBL4246286) Show SMILES [H][C@]12CC[C@]([H])(N1)[C@@H](CCC1CCS(=O)(=O)CC1)[C@@H](C2)Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12 |r| Show InChI InChI=1S/C29H37N5O3S/c1-17-11-20(15-30-14-17)24-16-31-28(27-23(24)12-18(2)29(35)34-27)33-26-13-21-4-6-25(32-21)22(26)5-3-19-7-9-38(36,37)10-8-19/h11-12,14-16,19,21-22,25-26,32H,3-10,13H2,1-2H3,(H,31,33)(H,34,35)/t21-,22-,25+,26-/m1/s1	PDB MMDB 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50464135 (CHEMBL4246741) Show SMILES [H][C@]12CC[C@]([H])(N1)[C@@H](CCC1CCS(=O)(=O)CC1)[C@@H](C2)Nc1ccc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12 |r| Show InChI InChI=1S/C30H38N4O3S/c1-18-13-21(17-31-16-18)23-6-8-27(29-25(23)14-19(2)30(35)34-29)33-28-15-22-4-7-26(32-22)24(28)5-3-20-9-11-38(36,37)12-10-20/h6,8,13-14,16-17,20,22,24,26,28,32-33H,3-5,7,9-12,15H2,1-2H3,(H,34,35)/t22-,24-,26+,28-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50464131 (CHEMBL4241003) Show SMILES [H][C@]12CC[C@]([H])(N1)[C@@H](CCC1CCOCC1)[C@@H](C2)Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12 |r| Show InChI InChI=1S/C29H37N5O2/c1-17-11-20(15-30-14-17)24-16-31-28(27-23(24)12-18(2)29(35)34-27)33-26-13-21-4-6-25(32-21)22(26)5-3-19-7-9-36-10-8-19/h11-12,14-16,19,21-22,25-26,32H,3-10,13H2,1-2H3,(H,31,33)(H,34,35)/t21-,22-,25+,26-/m1/s1	PDB MMDB 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50098300 (CHEMBL3590382) Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCOCC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C28H31NO2/c1-2-27(24-9-5-3-6-10-24)28(25-11-7-4-8-12-25)21-23-13-15-26(16-14-23)31-22-29-17-19-30-20-18-29/h3-16H,2,17-22H2,1H3/b28-27+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50098251 (CHEMBL3590391) Show SMILES Cc1cc2c(cnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2[nH]c1=O)-c1cncc(N)c1 |r| Show InChI InChI=1S/C26H34N6O2/c1-16-9-20-21(18-10-19(27)12-29-11-18)13-30-25(24(20)32-26(16)33)31-22-7-8-28-14-23(22)34-15-17-5-3-2-4-6-17/h9-13,17,22-23,28H,2-8,14-15,27H2,1H3,(H,30,31)(H,32,33)/t22-,23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of bi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50098250 (CHEMBL3590389) Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCCCC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C27H35N5O2/c1-17-10-20(13-29-12-17)22-14-30-26(25-21(22)11-18(2)27(33)32-25)31-23-8-9-28-15-24(23)34-16-19-6-4-3-5-7-19/h10-14,19,23-24,28H,3-9,15-16H2,1-2H3,(H,30,31)(H,32,33)/t23-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of bi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50098249 (CHEMBL3590388) Show SMILES Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2[nH]c1=O |r| Show InChI InChI=1S/C21H30N4O2/c1-14-11-16-7-10-23-20(19(16)25-21(14)26)24-17-8-9-22-12-18(17)27-13-15-5-3-2-4-6-15/h7,10-11,15,17-18,22H,2-6,8-9,12-13H2,1H3,(H,23,24)(H,25,26)/t17-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50093460 (CHEMBL3586713) Show SMILES CN1CCC(CC1)Nc1nccc2cc(C)c(=O)[nH]c12 Show InChI InChI=1S/C26H30N6O5/c33-14-19-21(35)22(36)25(37-19)32-15-29-20-23(27-12-10-17-6-8-18(34)9-7-17)30-26(31-24(20)32)28-13-11-16-4-2-1-3-5-16/h1-9,15,19,21-22,25,33-36H,10-14H2,(H2,27,28,30,31)/t19?,21-,22-,25?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of bi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50096319 (CHEMBL3586718) Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)Nc1nccc3cc(C)c(=O)[nH]c13)N2C |r| Show InChI InChI=1S/C23H19N3O/c1-16-8-7-9-17(2)22(16)26-21(14-13-18-10-5-6-15-24-18)25-20-12-4-3-11-19(20)23(26)27/h3-15H,1-2H3/b14-13+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of bi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50096311 (CHEMBL3586717) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1nccc3cc(C)c(=O)[nH]c13)N2C |r| Show InChI InChI=1S/C21H15N3O/c25-21-18-11-4-5-12-19(18)23-20(14-13-16-8-6-7-15-22-16)24(21)17-9-2-1-3-10-17/h1-15H/b14-13+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of bi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50098305 (CHEMBL3590405) Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of bi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50093447 (CHEMBL3586700) Show SMILES Cc1cc2ccnc(NC3CCNCC3)c2[nH]c1=O Show InChI InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13?,14-,15?,16?,17?,18-,20+,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of bi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50098249 (CHEMBL3590388) Show SMILES Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2[nH]c1=O |r| Show InChI InChI=1S/C21H30N4O2/c1-14-11-16-7-10-23-20(19(16)25-21(14)26)24-17-8-9-22-12-18(17)27-13-15-5-3-2-4-6-15/h7,10-11,15,17-18,22H,2-6,8-9,12-13H2,1H3,(H,23,24)(H,25,26)/t17-,18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of bi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50098312 (CHEMBL3590399) Show SMILES CO[C@@H]1CNCC[C@H]1Nc1nccc2cc(C)c(=O)[nH]c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of bi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50464134 (CHEMBL4242484) Show SMILES [H][C@]12CC[C@]([H])(N1)[C@@H](CCC1CCC(F)(F)CC1)[C@@H](C2)Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12 |r| Show InChI InChI=1S/C30H37F2N5O/c1-17-11-20(15-33-14-17)24-16-34-28(27-23(24)12-18(2)29(38)37-27)36-26-13-21-4-6-25(35-21)22(26)5-3-19-7-9-30(31,32)10-8-19/h11-12,14-16,19,21-22,25-26,35H,3-10,13H2,1-2H3,(H,34,36)(H,37,38)/t21-,22-,25+,26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of bi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50464135 (CHEMBL4246741) Show SMILES [H][C@]12CC[C@]([H])(N1)[C@@H](CCC1CCS(=O)(=O)CC1)[C@@H](C2)Nc1ccc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12 |r| Show InChI InChI=1S/C30H38N4O3S/c1-18-13-21(17-31-16-18)23-6-8-27(29-25(23)14-19(2)30(35)34-29)33-28-15-22-4-7-26(32-22)24(28)5-3-20-9-11-38(36,37)12-10-20/h6,8,13-14,16-17,20,22,24,26,28,32-33H,3-5,7,9-12,15H2,1-2H3,(H,34,35)/t22-,24-,26+,28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of bi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50464129 (CHEMBL4244134) Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCC(F)(F)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C28H34F2N4O2/c1-17-11-20(14-32-13-17)21-3-4-24(26-22(21)12-18(2)27(35)34-26)33-23-7-10-31-15-25(23)36-16-19-5-8-28(29,30)9-6-19/h3-4,11-14,19,23,25,31,33H,5-10,15-16H2,1-2H3,(H,34,35)/t23-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of bi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50464131 (CHEMBL4241003) Show SMILES [H][C@]12CC[C@]([H])(N1)[C@@H](CCC1CCOCC1)[C@@H](C2)Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12 |r| Show InChI InChI=1S/C29H37N5O2/c1-17-11-20(15-30-14-17)24-16-31-28(27-23(24)12-18(2)29(35)34-27)33-26-13-21-4-6-25(32-21)22(26)5-3-19-7-9-36-10-8-19/h11-12,14-16,19,21-22,25-26,32H,3-10,13H2,1-2H3,(H,31,33)(H,34,35)/t21-,22-,25+,26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of bi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50098300 (CHEMBL3590382) Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCOCC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C28H31NO2/c1-2-27(24-9-5-3-6-10-24)28(25-11-7-4-8-12-25)21-23-13-15-26(16-14-23)31-22-29-17-19-30-20-18-29/h3-16H,2,17-22H2,1H3/b28-27+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of bi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50098312 (CHEMBL3590399) Show SMILES CO[C@@H]1CNCC[C@H]1Nc1nccc2cc(C)c(=O)[nH]c12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50093460 (CHEMBL3586713) Show SMILES CN1CCC(CC1)Nc1nccc2cc(C)c(=O)[nH]c12 Show InChI InChI=1S/C26H30N6O5/c33-14-19-21(35)22(36)25(37-19)32-15-29-20-23(27-12-10-17-6-8-18(34)9-7-17)30-26(31-24(20)32)28-13-11-16-4-2-1-3-5-16/h1-9,15,19,21-22,25,33-36H,10-14H2,(H2,27,28,30,31)/t19?,21-,22-,25?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50093447 (CHEMBL3586700) Show SMILES Cc1cc2ccnc(NC3CCNCC3)c2[nH]c1=O Show InChI InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13?,14-,15?,16?,17?,18-,20+,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50098301 (CHEMBL3590383) Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of bi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50464133 (CHEMBL4238181) Show SMILES CO[C@@H]1CNC[C@H](OC)[C@H]1Nc1nccc2cc(C)c(=O)[nH]c12 |r| Show InChI InChI=1S/C16H22N4O3/c1-9-6-10-4-5-18-15(13(10)20-16(9)21)19-14-11(22-2)7-17-8-12(14)23-3/h4-6,11-12,14,17H,7-8H2,1-3H3,(H,18,19)(H,20,21)/t11-,12+,14+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of bi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50464133 (CHEMBL4238181) Show SMILES CO[C@@H]1CNC[C@H](OC)[C@H]1Nc1nccc2cc(C)c(=O)[nH]c12 |r| Show InChI InChI=1S/C16H22N4O3/c1-9-6-10-4-5-18-15(13(10)20-16(9)21)19-14-11(22-2)7-17-8-12(14)23-3/h4-6,11-12,14,17H,7-8H2,1-3H3,(H,18,19)(H,20,21)/t11-,12+,14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50464128 (CHEMBL4206758) Show SMILES CO[C@H]1CNC[C@@H](OCC2CCC(F)(F)CC2)[C@@H]1Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12 |r| Show InChI InChI=1S/C28H35F2N5O3/c1-16-8-19(11-31-10-16)21-12-33-26(24-20(21)9-17(2)27(36)35-24)34-25-22(37-3)13-32-14-23(25)38-15-18-4-6-28(29,30)7-5-18/h8-12,18,22-23,25,32H,4-7,13-15H2,1-3H3,(H,33,34)(H,35,36)/t22-,23+,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of bi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50096319 (CHEMBL3586718) Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)Nc1nccc3cc(C)c(=O)[nH]c13)N2C |r| Show InChI InChI=1S/C23H19N3O/c1-16-8-7-9-17(2)22(16)26-21(14-13-18-10-5-6-15-24-18)25-20-12-4-3-11-19(20)23(26)27/h3-15H,1-2H3/b14-13+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50464130 (CHEMBL4246358) Show SMILES CO[C@H]1CNC[C@@H](OCC2CCOCC2)[C@@H]1Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12 |r| Show InChI InChI=1S/C27H35N5O4/c1-16-8-19(11-28-10-16)21-12-30-26(24-20(21)9-17(2)27(33)32-24)31-25-22(34-3)13-29-14-23(25)36-15-18-4-6-35-7-5-18/h8-12,18,22-23,25,29H,4-7,13-15H2,1-3H3,(H,30,31)(H,32,33)/t22-,23+,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of bi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50096311 (CHEMBL3586717) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1nccc3cc(C)c(=O)[nH]c13)N2C |r| Show InChI InChI=1S/C21H15N3O/c25-21-18-11-4-5-12-19(18)23-20(14-13-16-8-6-7-15-22-16)24(21)17-9-2-1-3-10-17/h1-15H/b14-13+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50464132 (CHEMBL4246286) Show SMILES [H][C@]12CC[C@]([H])(N1)[C@@H](CCC1CCS(=O)(=O)CC1)[C@@H](C2)Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12 |r| Show InChI InChI=1S/C29H37N5O3S/c1-17-11-20(15-30-14-17)24-16-31-28(27-23(24)12-18(2)29(35)34-27)33-26-13-21-4-6-25(32-21)22(26)5-3-19-7-9-38(36,37)10-8-19/h11-12,14-16,19,21-22,25-26,32H,3-10,13H2,1-2H3,(H,31,33)(H,34,35)/t21-,22-,25+,26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of bi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50464127 (CHEMBL4250812) Show SMILES CO[C@H]1CNC[C@@H](OCC2CCS(=O)(=O)CC2)[C@@H]1Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12 |r| Show InChI InChI=1S/C27H35N5O5S/c1-16-8-19(11-28-10-16)21-12-30-26(24-20(21)9-17(2)27(33)32-24)31-25-22(36-3)13-29-14-23(25)37-15-18-4-6-38(34,35)7-5-18/h8-12,18,22-23,25,29H,4-7,13-15H2,1-3H3,(H,30,31)(H,32,33)/t22-,23+,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of bi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair