Compile Data Set for Download or QSAR

Found 455 hits Enz. Inhib. hit(s) with all data for entry = 498   

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 3 (Homo sapiens (Human))	BDBM274296 (Ethyl (6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-[1,2,...) Show SMILES CCOC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H22ClN7O3/c1-5-34-23(33)25-15-11-29(3)20-17(15)22(32)31(19(20)13-6-8-14(24)9-7-13)16-10-12(2)18-21(26-16)30(4)28-27-18/h6-11,19H,5H2,1-4H3,(H,25,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<11	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274297 (6-(4-chlorophenyl)-5-(1,4-dimethyl-1H-benzo[d][1,2...) Show SMILES CNC(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H21ClN6O2/c1-12-9-15(10-17-19(12)26-27-29(17)4)30-20(13-5-7-14(24)8-6-13)21-18(23(30)32)16(11-28(21)3)22(31)25-2/h5-11,20H,1-4H3,(H,25,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<11	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274298 (6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...) Show SMILES CNC(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H21ClN6O2/c1-12-9-16(10-29-13(2)26-27-21(12)29)30-19(14-5-7-15(24)8-6-14)20-18(23(30)32)17(11-28(20)4)22(31)25-3/h5-11,19H,1-4H3,(H,25,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<11	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274304 (1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyc...) Show SMILES CC(=O)N1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1 Show InChI InChI=1S/C27H26ClN7O2/c1-14-10-21(29-26-23(14)30-31-32(26)3)35-24(17-6-8-18(28)9-7-17)25-22(27(35)37)20(16-4-5-16)13-34(25)19-11-33(12-19)15(2)36/h6-10,13,16,19,24H,4-5,11-12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<11	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274310 (1-(6-(4-chlorophenyl)-5-(3-(difluoromethyl)-8-meth...) Show SMILES CNC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C(F)F)n2n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H19ClF2N8O2/c1-10-8-14(30-33-19(10)28-29-20(33)18(24)25)32-16(11-4-6-12(23)7-5-11)17-15(21(32)34)13(9-31(17)3)27-22(35)26-2/h4-9,16,18H,1-3H3,(H2,26,27,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<11	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274318 (6-(4-chlorophenyl)-3-cyclopropyl-2-(3,6-dihydro-2H...) Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(C1CC1)c(C1=CCOCC1)n2C)c1ccc(Cl)cc1 |t:26| Show InChI InChI=1S/C29H28ClN5O2/c1-16-14-22(15-34-17(2)31-32-28(16)34)35-26(19-6-8-21(30)9-7-19)27-24(29(35)36)23(18-4-5-18)25(33(27)3)20-10-12-37-13-11-20/h6-10,14-15,18,26H,4-5,11-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<11	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM274318 (6-(4-chlorophenyl)-3-cyclopropyl-2-(3,6-dihydro-2H...) Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(C1CC1)c(C1=CCOCC1)n2C)c1ccc(Cl)cc1 |t:26| Show InChI InChI=1S/C29H28ClN5O2/c1-16-14-22(15-34-17(2)31-32-28(16)34)35-26(19-6-8-21(30)9-7-19)27-24(29(35)36)23(18-4-5-18)25(33(27)3)20-10-12-37-13-11-20/h6-10,14-15,18,26H,4-5,11-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<11	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274319 (6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-di methyl-...) Show SMILES COc1ncccc1-c1c(C2CC2)c2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |(5.51,-2.51,;4.74,-1.18,;5.51,.15,;7.05,.15,;7.82,1.49,;7.05,2.82,;5.51,2.82,;4.74,1.49,;3.2,1.49,;2.3,2.73,;2.7,4.22,;3.79,5.31,;2.3,5.71,;.83,2.26,;-.63,2.73,;-1.4,4.07,;-1.54,1.49,;-.63,.24,;.83,.72,;2.3,.24,;3.07,-1.09,;-1.03,-1.25,;.06,-2.33,;-.34,-3.82,;-1.83,-4.22,;-2.23,-5.71,;-2.92,-3.13,;-2.52,-1.64,;-3.08,1.49,;-3.85,2.82,;-5.39,2.82,;-6.16,4.15,;-6.16,1.49,;-7.66,1.17,;-7.82,-.36,;-6.42,-.99,;-6.02,-2.48,;-5.39,.15,;-3.85,.15,)| Show InChI InChI=1S/C30H27ClN6O2/c1-16-14-21(15-36-17(2)33-34-28(16)36)37-25(19-9-11-20(31)12-10-19)27-24(30(37)38)23(18-7-8-18)26(35(27)3)22-6-5-13-32-29(22)39-4/h5-6,9-15,18,25H,7-8H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<11	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM274319 (6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-di methyl-...) Show SMILES COc1ncccc1-c1c(C2CC2)c2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |(5.51,-2.51,;4.74,-1.18,;5.51,.15,;7.05,.15,;7.82,1.49,;7.05,2.82,;5.51,2.82,;4.74,1.49,;3.2,1.49,;2.3,2.73,;2.7,4.22,;3.79,5.31,;2.3,5.71,;.83,2.26,;-.63,2.73,;-1.4,4.07,;-1.54,1.49,;-.63,.24,;.83,.72,;2.3,.24,;3.07,-1.09,;-1.03,-1.25,;.06,-2.33,;-.34,-3.82,;-1.83,-4.22,;-2.23,-5.71,;-2.92,-3.13,;-2.52,-1.64,;-3.08,1.49,;-3.85,2.82,;-5.39,2.82,;-6.16,4.15,;-6.16,1.49,;-7.66,1.17,;-7.82,-.36,;-6.42,-.99,;-6.02,-2.48,;-5.39,.15,;-3.85,.15,)| Show InChI InChI=1S/C30H27ClN6O2/c1-16-14-21(15-36-17(2)33-34-28(16)36)37-25(19-9-11-20(31)12-10-19)27-24(30(37)38)23(18-7-8-18)26(35(27)3)22-6-5-13-32-29(22)39-4/h5-6,9-15,18,25H,7-8H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<11	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274322 (Ethyl 6-(4-chlorophenyl)-2-(3,6-dihydro-2H-pyran-4...) Show SMILES CCOC(=O)n1c2C(N(C(=O)c2c(C)c1C1=CCOCC1)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1 |t:17| Show InChI InChI=1S/C29H28ClN5O4/c1-5-39-29(37)35-24(20-10-12-38-13-11-20)17(3)23-26(35)25(19-6-8-21(30)9-7-19)34(28(23)36)22-14-16(2)27-32-31-18(4)33(27)15-22/h6-10,14-15,25H,5,11-13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<11	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM274322 (Ethyl 6-(4-chlorophenyl)-2-(3,6-dihydro-2H-pyran-4...) Show SMILES CCOC(=O)n1c2C(N(C(=O)c2c(C)c1C1=CCOCC1)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1 |t:17| Show InChI InChI=1S/C29H28ClN5O4/c1-5-39-29(37)35-24(20-10-12-38-13-11-20)17(3)23-26(35)25(19-6-8-21(30)9-7-19)34(28(23)36)22-14-16(2)27-32-31-18(4)33(27)15-22/h6-10,14-15,25H,5,11-13H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274336 ((R)-6-(4-chlorophenyl)-2-(3,6-dihydro-2H-pyran-4-y...) Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@H](c2c(cc(C3=CCOCC3)n2C)C1=O)c1ccc(Cl)cc1 |r,t:19| Show InChI InChI=1S/C26H24ClN5O2/c1-15-12-20(14-31-16(2)28-29-25(15)31)32-23(18-4-6-19(27)7-5-18)24-21(26(32)33)13-22(30(24)3)17-8-10-34-11-9-17/h4-8,12-14,23H,9-11H2,1-3H3/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<11	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274222 (1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyc...) Show SMILES CC(=O)N1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 Show InChI InChI=1S/C28H27ClN6O2/c1-15-10-21(13-33-16(2)30-31-27(15)33)35-25(19-6-8-20(29)9-7-19)26-24(28(35)37)23(18-4-5-18)14-34(26)22-11-32(12-22)17(3)36/h6-10,13-14,18,22,25H,4-5,11-12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<11	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [60-463] (Homo sapiens (Human))	BDBM274222 (1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyc...) Show SMILES CC(=O)N1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 Show InChI InChI=1S/C28H27ClN6O2/c1-15-10-21(13-33-16(2)30-31-27(15)33)35-25(19-6-8-20(29)9-7-19)26-24(28(35)37)23(18-4-5-18)14-34(26)22-11-32(12-22)17(3)36/h6-10,13-14,18,22,25H,4-5,11-12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<11	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM274222 (1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyc...) Show SMILES CC(=O)N1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 Show InChI InChI=1S/C28H27ClN6O2/c1-15-10-21(13-33-16(2)30-31-27(15)33)35-25(19-6-8-20(29)9-7-19)26-24(28(35)37)23(18-4-5-18)14-34(26)22-11-32(12-22)17(3)36/h6-10,13-14,18,22,25H,4-5,11-12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<11	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274323 (Ethyl 6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]tr...) Show SMILES CCOC(=O)n1c2C(N(C(=O)c2c(C)c1-c1cccnc1OC)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1 |(.92,-4.8,;2.01,-3.71,;1.61,-2.22,;2.7,-1.14,;4.18,-1.53,;2.3,.35,;.83,.83,;-.63,.35,;-1.54,1.6,;-.63,2.84,;-1.4,4.18,;.83,2.37,;2.3,2.84,;3.07,4.18,;3.2,1.6,;4.74,1.6,;5.51,.26,;7.05,.26,;7.82,1.6,;7.05,2.93,;5.51,2.93,;4.74,4.26,;5.51,5.6,;-3.08,1.6,;-3.85,2.93,;-5.39,2.93,;-6.16,4.26,;-6.16,1.6,;-7.66,1.28,;-7.82,-.25,;-6.42,-.88,;-6.02,-2.37,;-5.39,.26,;-3.85,.26,;-1.03,-1.14,;.06,-2.22,;-.34,-3.71,;-1.83,-4.11,;-2.23,-5.6,;-2.92,-3.02,;-2.52,-1.53,)| Show InChI InChI=1S/C30H27ClN6O4/c1-6-41-30(39)37-24(22-8-7-13-32-28(22)40-5)17(3)23-26(37)25(19-9-11-20(31)12-10-19)36(29(23)38)21-14-16(2)27-34-33-18(4)35(27)15-21/h7-15,25H,6H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274293 (6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-[1,2,3]triaz...) Show SMILES CN(C)C(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H22ClN7O2/c1-12-10-16(25-21-18(12)26-27-30(21)5)31-19(13-6-8-14(24)9-7-13)20-17(23(31)33)15(11-29(20)4)22(32)28(2)3/h6-11,19H,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM274297 (6-(4-chlorophenyl)-5-(1,4-dimethyl-1H-benzo[d][1,2...) Show SMILES CNC(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H21ClN6O2/c1-12-9-15(10-17-19(12)26-27-29(17)4)30-20(13-5-7-14(24)8-6-13)21-18(23(30)32)16(11-28(21)3)22(31)25-2/h5-11,20H,1-4H3,(H,25,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM274304 (1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyc...) Show SMILES CC(=O)N1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1 Show InChI InChI=1S/C27H26ClN7O2/c1-14-10-21(29-26-23(14)30-31-32(26)3)35-24(17-6-8-18(28)9-7-17)25-22(27(35)37)20(16-4-5-16)13-34(25)19-11-33(12-19)15(2)36/h6-10,13,16,19,24H,4-5,11-12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274305 (6-(4-chlorophenyl)-3-cyclopropyl-5-(3,7-dimethyl-3...) Show SMILES CN1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1 Show InChI InChI=1S/C26H26ClN7O/c1-14-10-20(28-25-22(14)29-30-32(25)3)34-23(16-6-8-17(27)9-7-16)24-21(26(34)35)19(15-4-5-15)13-33(24)18-11-31(2)12-18/h6-10,13,15,18,23H,4-5,11-12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM274305 (6-(4-chlorophenyl)-3-cyclopropyl-5-(3,7-dimethyl-3...) Show SMILES CN1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1 Show InChI InChI=1S/C26H26ClN7O/c1-14-10-20(28-25-22(14)29-30-32(25)3)34-23(16-6-8-17(27)9-7-16)24-21(26(34)35)19(15-4-5-15)13-33(24)18-11-31(2)12-18/h6-10,13,15,18,23H,4-5,11-12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274321 (6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...) Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(C1CC1)c(C)n2C)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24ClN5O/c1-13-11-19(12-30-15(3)27-28-24(13)30)31-22(17-7-9-18(26)10-8-17)23-21(25(31)32)20(16-5-6-16)14(2)29(23)4/h7-12,16,22H,5-6H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274329 (3-(azetidin-3-yl)-6-(4-chlorophenyl)-5-(3,7-dimeth...) Show SMILES Cc1cc(nc2n(C)nnc12)N1C(c2c(C1=O)c(cn2C)C1CNC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H22ClN7O/c1-12-8-17(26-22-19(12)27-28-30(22)3)31-20(13-4-6-15(24)7-5-13)21-18(23(31)32)16(11-29(21)2)14-9-25-10-14/h4-8,11,14,20,25H,9-10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274209 (6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-[1,2,3]triaz...) Show SMILES COCn1cc(C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1 Show InChI InChI=1S/C22H21ClN6O2/c1-12-9-16(24-21-18(12)25-26-27(21)3)29-19(14-5-7-15(23)8-6-14)20-17(22(29)30)13(2)10-28(20)11-31-4/h5-10,19H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274223 (6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...) Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(cn2C1COC1)C1CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H24ClN5O2/c1-14-9-19(10-30-15(2)28-29-25(14)30)32-23(17-5-7-18(27)8-6-17)24-22(26(32)33)21(16-3-4-16)11-31(24)20-12-34-13-20/h5-11,16,20,23H,3-4,12-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274292 (6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-[1,2,3]triaz...) Show SMILES CNC(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H20ClN7O2/c1-11-9-15(25-20-17(11)26-27-29(20)4)30-18(12-5-7-13(23)8-6-12)19-16(22(30)32)14(10-28(19)3)21(31)24-2/h5-10,18H,1-4H3,(H,24,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM274293 (6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-[1,2,3]triaz...) Show SMILES CN(C)C(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H22ClN7O2/c1-12-10-16(25-21-18(12)26-27-30(21)5)31-19(13-6-8-14(24)9-7-13)20-17(23(31)33)15(11-29(20)4)22(32)28(2)3/h6-11,19H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM274298 (6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...) Show SMILES CNC(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H21ClN6O2/c1-12-9-16(10-29-13(2)26-27-21(12)29)30-19(14-5-7-15(24)8-6-14)20-18(23(30)32)17(11-28(20)4)22(31)25-3/h5-11,19H,1-4H3,(H,25,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [60-463] (Homo sapiens (Human))	BDBM274305 (6-(4-chlorophenyl)-3-cyclopropyl-5-(3,7-dimethyl-3...) Show SMILES CN1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1 Show InChI InChI=1S/C26H26ClN7O/c1-14-10-20(28-25-22(14)29-30-32(25)3)34-23(16-6-8-17(27)9-7-16)24-21(26(34)35)19(15-4-5-15)13-33(24)18-11-31(2)12-18/h6-10,13,15,18,23H,4-5,11-12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274312 (N-(6-(4-chlorophenyl)-5-(1,4-dimethyl-1H-benzo[d][...) Show SMILES CC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H21ClN6O2/c1-12-9-16(10-18-20(12)26-27-29(18)4)30-21(14-5-7-15(24)8-6-14)22-19(23(30)32)17(11-28(22)3)25-13(2)31/h5-11,21H,1-4H3,(H,25,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM274329 (3-(azetidin-3-yl)-6-(4-chlorophenyl)-5-(3,7-dimeth...) Show SMILES Cc1cc(nc2n(C)nnc12)N1C(c2c(C1=O)c(cn2C)C1CNC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H22ClN7O/c1-12-8-17(26-22-19(12)27-28-30(22)3)31-20(13-4-6-15(24)7-5-13)21-18(23(31)32)16(11-29(21)2)14-9-25-10-14/h4-8,11,14,20,25H,9-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM274336 ((R)-6-(4-chlorophenyl)-2-(3,6-dihydro-2H-pyran-4-y...) Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@H](c2c(cc(C3=CCOCC3)n2C)C1=O)c1ccc(Cl)cc1 |r,t:19| Show InChI InChI=1S/C26H24ClN5O2/c1-15-12-20(14-31-16(2)28-29-25(15)31)32-23(18-4-6-19(27)7-5-18)24-21(26(32)33)13-22(30(24)3)17-8-10-34-11-9-17/h4-8,12-14,23H,9-11H2,1-3H3/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274239 ((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...) Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(C1=O)c(cn2C)C1CC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H22ClN5O/c1-13-10-18(11-29-14(2)26-27-23(13)29)30-21(16-6-8-17(25)9-7-16)22-20(24(30)31)19(12-28(22)3)15-4-5-15/h6-12,15,21H,4-5H2,1-3H3/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [60-463] (Homo sapiens (Human))	BDBM274304 (1-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-3-cyc...) Show SMILES CC(=O)N1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2n1 Show InChI InChI=1S/C27H26ClN7O2/c1-14-10-21(29-26-23(14)30-31-32(26)3)35-24(17-6-8-18(28)9-7-17)25-22(27(35)37)20(16-4-5-16)13-34(25)19-11-33(12-19)15(2)36/h6-10,13,16,19,24H,4-5,11-12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM274292 (6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-[1,2,3]triaz...) Show SMILES CNC(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H20ClN7O2/c1-11-9-15(25-20-17(11)26-27-29(20)4)30-18(12-5-7-13(23)8-6-12)19-16(22(30)32)14(10-28(19)3)21(31)24-2/h5-10,18H,1-4H3,(H,24,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274316 (3-(1-acetylazetidin-3-yl)-6-(4-chlorophenyl)-5-(3,...) Show SMILES CC(=O)N1CC(C1)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H25ClN6O2/c1-14-9-20(12-32-15(2)28-29-25(14)32)33-23(17-5-7-19(27)8-6-17)24-22(26(33)35)21(13-30(24)4)18-10-31(11-18)16(3)34/h5-9,12-13,18,23H,10-11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM274323 (Ethyl 6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]tr...) Show SMILES CCOC(=O)n1c2C(N(C(=O)c2c(C)c1-c1cccnc1OC)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1 |(.92,-4.8,;2.01,-3.71,;1.61,-2.22,;2.7,-1.14,;4.18,-1.53,;2.3,.35,;.83,.83,;-.63,.35,;-1.54,1.6,;-.63,2.84,;-1.4,4.18,;.83,2.37,;2.3,2.84,;3.07,4.18,;3.2,1.6,;4.74,1.6,;5.51,.26,;7.05,.26,;7.82,1.6,;7.05,2.93,;5.51,2.93,;4.74,4.26,;5.51,5.6,;-3.08,1.6,;-3.85,2.93,;-5.39,2.93,;-6.16,4.26,;-6.16,1.6,;-7.66,1.28,;-7.82,-.25,;-6.42,-.88,;-6.02,-2.37,;-5.39,.26,;-3.85,.26,;-1.03,-1.14,;.06,-2.22,;-.34,-3.71,;-1.83,-4.11,;-2.23,-5.6,;-2.92,-3.02,;-2.52,-1.53,)| Show InChI InChI=1S/C30H27ClN6O4/c1-6-41-30(39)37-24(22-8-7-13-32-28(22)40-5)17(3)23-26(37)25(19-9-11-20(31)12-10-19)36(29(23)38)21-14-16(2)27-34-33-18(4)35(27)15-21/h7-15,25H,6H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274210 (6-(4-chlorophenyl)-5-(3,8-di methyl-[1,2,4]triazol...) Show SMILES Cc1c[nH]c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274221 (6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-di methyl-...) Show SMILES CN1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 Show InChI InChI=1S/C27H27ClN6O/c1-15-10-20(13-32-16(2)29-30-26(15)32)34-24(18-6-8-19(28)9-7-18)25-23(27(34)35)22(17-4-5-17)14-33(25)21-11-31(3)12-21/h6-10,13-14,17,21,24H,4-5,11-12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [60-463] (Homo sapiens (Human))	BDBM274221 (6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-di methyl-...) Show SMILES CN1CC(C1)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 Show InChI InChI=1S/C27H27ClN6O/c1-15-10-20(13-32-16(2)29-30-26(15)32)34-24(18-6-8-19(28)9-7-18)25-23(27(34)35)22(17-4-5-17)14-33(25)21-11-31(3)12-21/h6-10,13-14,17,21,24H,4-5,11-12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [60-463] (Homo sapiens (Human))	BDBM274223 (6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...) Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(cn2C1COC1)C1CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H24ClN5O2/c1-14-9-19(10-30-15(2)28-29-25(14)30)32-23(17-5-7-18(27)8-6-17)24-22(26(32)33)21(16-3-4-16)11-31(24)20-12-34-13-20/h5-11,16,20,23H,3-4,12-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM274223 (6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...) Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(cn2C1COC1)C1CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H24ClN5O2/c1-14-9-19(10-30-15(2)28-29-25(14)30)32-23(17-5-7-18(27)8-6-17)24-22(26(32)33)21(16-3-4-16)11-31(24)20-12-34-13-20/h5-11,16,20,23H,3-4,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274249 (6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihyd...) Show SMILES Cc1cc(cn(C)c1=O)N1C(c2c(cc(-c3ccc(=O)n(C)c3)n2C)C1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H23ClN4O3/c1-15-11-19(14-29(3)25(15)33)31-23(16-5-8-18(27)9-6-16)24-20(26(31)34)12-21(30(24)4)17-7-10-22(32)28(2)13-17/h5-14,23H,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274334 ((R)-6-(4-chlorophenyl)-5-(3,8-di methyl-[1,2,4]tri...) Show SMILES COc1ncccc1-c1cc2C(=O)N([C@H](c2n1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r| Show InChI InChI=1S/C27H23ClN6O2/c1-15-12-19(14-33-16(2)30-31-25(15)33)34-23(17-7-9-18(28)10-8-17)24-21(27(34)35)13-22(32(24)3)20-6-5-11-29-26(20)36-4/h5-14,23H,1-4H3/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [60-463] (Homo sapiens (Human))	BDBM274292 (6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-[1,2,3]triaz...) Show SMILES CNC(=O)c1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H20ClN7O2/c1-11-9-15(25-20-17(11)26-27-29(20)4)30-18(12-5-7-13(23)8-6-12)19-16(22(30)32)14(10-28(19)3)21(31)24-2/h5-10,18H,1-4H3,(H,24,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [60-463] (Homo sapiens (Human))	BDBM274296 (Ethyl (6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-[1,2,...) Show SMILES CCOC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H22ClN7O3/c1-5-34-23(33)25-15-11-29(3)20-17(15)22(32)31(19(20)13-6-8-14(24)9-7-13)16-10-12(2)18-21(26-16)30(4)28-27-18/h6-11,19H,5H2,1-4H3,(H,25,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM274312 (N-(6-(4-chlorophenyl)-5-(1,4-dimethyl-1H-benzo[d][...) Show SMILES CC(=O)Nc1cn(C)c2C(N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H21ClN6O2/c1-12-9-16(10-18-20(12)26-27-29(18)4)30-21(14-5-7-15(24)8-6-14)22-19(23(30)32)17(11-28(22)3)25-13(2)31/h5-11,21H,1-4H3,(H,25,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM274321 (6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[...) Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(C1=O)c(C1CC1)c(C)n2C)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24ClN5O/c1-13-11-19(12-30-15(3)27-28-24(13)30)31-22(17-7-9-18(26)10-8-17)23-21(25(31)32)20(16-5-6-16)14(2)29(23)4/h7-12,16,22H,5-6H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-477] (Homo sapiens (Human))	BDBM274324 (Ethyl 6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dime...) Show SMILES CCOC(=O)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 Show InChI InChI=1S/C26H24ClN5O3/c1-4-35-26(34)31-13-20(16-5-6-16)21-23(31)22(17-7-9-18(27)10-8-17)32(25(21)33)19-11-14(2)24-29-28-15(3)30(24)12-19/h7-13,16,22H,4-6H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM274324 (Ethyl 6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dime...) Show SMILES CCOC(=O)n1cc(C2CC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 Show InChI InChI=1S/C26H24ClN5O3/c1-4-35-26(34)31-13-20(16-5-6-16)21-23(31)22(17-7-9-18(27)10-8-17)32(25(21)33)19-11-14(2)24-29-28-15(3)30(24)12-19/h7-13,16,22H,4-6H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair

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