Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2379   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bromodomain-containing protein 4 [49-170] (Homo sapiens (Human))	BDBM363494 (US9850257, Example 1) Show SMILES Cc1noc(C)c1-c1ccc2c3c1OCC(c1ccccc1)n3[nH]c2=O |(.13,-2.57,;1.47,-3.34,;1.94,-4.81,;3.48,-4.81,;3.96,-3.34,;5.29,-2.57,;2.71,-2.44,;2.71,-.9,;4.04,-.13,;4.04,1.41,;2.71,2.18,;1.38,1.41,;1.38,-.13,;.04,-.9,;-1.29,-.13,;-1.29,1.41,;-2.62,2.18,;-2.62,3.72,;-3.96,4.49,;-5.29,3.72,;-5.29,2.18,;-3.96,1.41,;.04,2.18,;.04,3.72,;2.71,3.72,;3.8,4.81,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [342-460] (Homo sapiens (Human))	BDBM363494 (US9850257, Example 1) Show SMILES Cc1noc(C)c1-c1ccc2c3c1OCC(c1ccccc1)n3[nH]c2=O |(.13,-2.57,;1.47,-3.34,;1.94,-4.81,;3.48,-4.81,;3.96,-3.34,;5.29,-2.57,;2.71,-2.44,;2.71,-.9,;4.04,-.13,;4.04,1.41,;2.71,2.18,;1.38,1.41,;1.38,-.13,;.04,-.9,;-1.29,-.13,;-1.29,1.41,;-2.62,2.18,;-2.62,3.72,;-3.96,4.49,;-5.29,3.72,;-5.29,2.18,;-3.96,1.41,;.04,2.18,;.04,3.72,;2.71,3.72,;3.8,4.81,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [342-460] (Homo sapiens (Human))	BDBM363497 (US9850257, Example 4) Show SMILES Cc1noc(C)c1-c1ccc2cnn3C(COc1c23)c1ccccc1 |(.13,-2.42,;1.47,-3.19,;1.94,-4.65,;3.48,-4.65,;3.96,-3.19,;5.29,-2.42,;2.71,-2.28,;2.71,-.74,;4.04,.03,;4.04,1.57,;2.71,2.34,;2.71,3.88,;.04,3.88,;.04,2.34,;-1.29,1.57,;-1.29,.03,;.04,-.74,;1.38,.03,;1.38,1.57,;-2.62,2.34,;-2.62,3.88,;-3.96,4.65,;-5.29,3.88,;-5.29,2.34,;-3.96,1.57,)| Show InChI InChI=1S/C20H17N3O2/c1-12-18(13(2)25-22-12)16-9-8-15-10-21-23-17(11-24-20(16)19(15)23)14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [342-460] (Homo sapiens (Human))	BDBM363505 (9-(3,5-Dimethylisoxazol-4-yl)-6-methoxy-3-pyridin-...) Show SMILES COc1nn2C(COc3c(ccc1c23)-c1c(C)noc1C)c1cccnc1 |(3.4,12.23,;3.8,10.74,;2.71,9.65,;.04,9.65,;.04,8.11,;-1.29,7.34,;-1.29,5.8,;.04,5.03,;1.38,5.8,;2.71,5.03,;4.04,5.8,;4.04,7.34,;2.71,8.11,;1.38,7.34,;2.71,3.49,;1.47,2.58,;.13,3.35,;1.94,1.12,;3.48,1.12,;3.96,2.58,;5.29,3.35,;-2.62,8.11,;-2.62,9.65,;-3.96,10.42,;-5.29,9.65,;-5.29,8.11,;-3.96,7.34,)| Show InChI InChI=1S/C20H18N4O3/c1-11-17(12(2)27-23-11)14-6-7-15-18-19(14)26-10-16(13-5-4-8-21-9-13)24(18)22-20(15)25-3/h4-9,16H,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [49-170] (Homo sapiens (Human))	BDBM363505 (9-(3,5-Dimethylisoxazol-4-yl)-6-methoxy-3-pyridin-...) Show SMILES COc1nn2C(COc3c(ccc1c23)-c1c(C)noc1C)c1cccnc1 |(3.4,12.23,;3.8,10.74,;2.71,9.65,;.04,9.65,;.04,8.11,;-1.29,7.34,;-1.29,5.8,;.04,5.03,;1.38,5.8,;2.71,5.03,;4.04,5.8,;4.04,7.34,;2.71,8.11,;1.38,7.34,;2.71,3.49,;1.47,2.58,;.13,3.35,;1.94,1.12,;3.48,1.12,;3.96,2.58,;5.29,3.35,;-2.62,8.11,;-2.62,9.65,;-3.96,10.42,;-5.29,9.65,;-5.29,8.11,;-3.96,7.34,)| Show InChI InChI=1S/C20H18N4O3/c1-11-17(12(2)27-23-11)14-6-7-15-18-19(14)26-10-16(13-5-4-8-21-9-13)24(18)22-20(15)25-3/h4-9,16H,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [342-460] (Homo sapiens (Human))	BDBM50158618 (CHEMBL3787341 | US9850257, Example 11) Show SMILES Cc1noc(C)c1-c1ccc2c3c1OCC(c1cccnc1)n3n(C)c2=O |(1.14,-4.07,;-.04,-4.46,;-.51,-5.94,;-2.07,-5.95,;-2.55,-4.47,;-3.73,-4.08,;-1.3,-3.58,;-1.3,-2.02,;-2.63,-1.27,;-2.63,.25,;-1.3,1,;,.25,;,-1.27,;1.32,-2.02,;2.65,-1.27,;2.65,.25,;3.99,1.03,;5.34,.26,;6.68,1.04,;6.67,2.59,;5.32,3.36,;3.98,2.58,;1.32,1,;.93,2.51,;1.69,3.49,;-1,2.53,;-1.79,3.5,)| Show InChI InChI=1S/C20H18N4O3/c1-11-17(12(2)27-22-11)14-6-7-15-18-19(14)26-10-16(13-5-4-8-21-9-13)24(18)23(3)20(15)25/h4-9,16H,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [49-170] (Homo sapiens (Human))	BDBM363495 (9-(3,5-Dimethylisoxazol-4-yl)-5-methyl-3-phenyl-2,...) Show SMILES Cc1noc(C)c1-c1ccc2c3c1OCC(c1ccccc1)n3n(C)c2=O |(.13,4.58,;1.47,3.81,;1.94,2.35,;3.48,2.35,;3.96,3.81,;5.29,4.58,;2.71,4.72,;2.71,6.26,;4.04,7.03,;4.04,8.57,;2.71,9.34,;1.38,8.57,;1.38,7.03,;.04,6.26,;-1.29,7.03,;-1.29,8.57,;-2.62,9.34,;-2.62,10.88,;-3.96,11.65,;-5.29,10.88,;-5.29,9.34,;-3.96,8.57,;.04,9.34,;.04,10.88,;-1.04,11.97,;2.71,10.88,;3.8,11.97,)| Show InChI InChI=1S/C21H19N3O3/c1-12-18(13(2)27-22-12)15-9-10-16-19-20(15)26-11-17(14-7-5-4-6-8-14)24(19)23(3)21(16)25/h4-10,17H,11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [342-460] (Homo sapiens (Human))	BDBM363495 (9-(3,5-Dimethylisoxazol-4-yl)-5-methyl-3-phenyl-2,...) Show SMILES Cc1noc(C)c1-c1ccc2c3c1OCC(c1ccccc1)n3n(C)c2=O |(.13,4.58,;1.47,3.81,;1.94,2.35,;3.48,2.35,;3.96,3.81,;5.29,4.58,;2.71,4.72,;2.71,6.26,;4.04,7.03,;4.04,8.57,;2.71,9.34,;1.38,8.57,;1.38,7.03,;.04,6.26,;-1.29,7.03,;-1.29,8.57,;-2.62,9.34,;-2.62,10.88,;-3.96,11.65,;-5.29,10.88,;-5.29,9.34,;-3.96,8.57,;.04,9.34,;.04,10.88,;-1.04,11.97,;2.71,10.88,;3.8,11.97,)| Show InChI InChI=1S/C21H19N3O3/c1-12-18(13(2)27-22-12)15-9-10-16-19-20(15)26-11-17(14-7-5-4-6-8-14)24(19)23(3)21(16)25/h4-10,17H,11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [49-170] (Homo sapiens (Human))	BDBM363496 (9-(3,5-Dimethylisoxazol-4-yl)-6-methoxy-3-phenyl-2...) Show SMILES COc1nn2C(COc3c(ccc1c23)-c1c(C)noc1C)c1ccccc1 |(3.4,13.46,;3.8,11.97,;2.71,10.88,;.04,10.88,;.04,9.34,;-1.29,8.57,;-1.29,7.03,;.04,6.26,;1.38,7.03,;2.71,6.26,;4.04,7.03,;4.04,8.57,;2.71,9.34,;1.38,8.57,;2.71,4.72,;1.47,3.81,;.13,4.58,;1.94,2.35,;3.48,2.35,;3.96,3.81,;5.29,4.58,;-2.62,9.34,;-2.62,10.88,;-3.96,11.65,;-5.29,10.88,;-5.29,9.34,;-3.96,8.57,)| Show InChI InChI=1S/C21H19N3O3/c1-12-18(13(2)27-23-12)15-9-10-16-19-20(15)26-11-17(14-7-5-4-6-8-14)24(19)22-21(16)25-3/h4-10,17H,11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [342-460] (Homo sapiens (Human))	BDBM363496 (9-(3,5-Dimethylisoxazol-4-yl)-6-methoxy-3-phenyl-2...) Show SMILES COc1nn2C(COc3c(ccc1c23)-c1c(C)noc1C)c1ccccc1 |(3.4,13.46,;3.8,11.97,;2.71,10.88,;.04,10.88,;.04,9.34,;-1.29,8.57,;-1.29,7.03,;.04,6.26,;1.38,7.03,;2.71,6.26,;4.04,7.03,;4.04,8.57,;2.71,9.34,;1.38,8.57,;2.71,4.72,;1.47,3.81,;.13,4.58,;1.94,2.35,;3.48,2.35,;3.96,3.81,;5.29,4.58,;-2.62,9.34,;-2.62,10.88,;-3.96,11.65,;-5.29,10.88,;-5.29,9.34,;-3.96,8.57,)| Show InChI InChI=1S/C21H19N3O3/c1-12-18(13(2)27-23-12)15-9-10-16-19-20(15)26-11-17(14-7-5-4-6-8-14)24(19)22-21(16)25-3/h4-10,17H,11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [49-170] (Homo sapiens (Human))	BDBM363497 (US9850257, Example 4) Show SMILES Cc1noc(C)c1-c1ccc2cnn3C(COc1c23)c1ccccc1 |(.13,-2.42,;1.47,-3.19,;1.94,-4.65,;3.48,-4.65,;3.96,-3.19,;5.29,-2.42,;2.71,-2.28,;2.71,-.74,;4.04,.03,;4.04,1.57,;2.71,2.34,;2.71,3.88,;.04,3.88,;.04,2.34,;-1.29,1.57,;-1.29,.03,;.04,-.74,;1.38,.03,;1.38,1.57,;-2.62,2.34,;-2.62,3.88,;-3.96,4.65,;-5.29,3.88,;-5.29,2.34,;-3.96,1.57,)| Show InChI InChI=1S/C20H17N3O2/c1-12-18(13(2)25-22-12)16-9-8-15-10-21-23-17(11-24-20(16)19(15)23)14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [342-460] (Homo sapiens (Human))	BDBM363498 (US9850257, Example 5) Show SMILES Cc1noc(C)c1-c1ccc2c3c1OCC(c1ccccn1)n3[nH]c2=O |(.13,-2.57,;1.47,-3.34,;1.94,-4.81,;3.48,-4.81,;3.96,-3.34,;5.29,-2.57,;2.71,-2.44,;2.71,-.9,;4.04,-.13,;4.04,1.41,;2.71,2.18,;1.38,1.41,;1.38,-.13,;.04,-.9,;-1.29,-.13,;-1.29,1.41,;-2.62,2.18,;-2.62,3.72,;-3.96,4.49,;-5.29,3.72,;-5.29,2.18,;-3.96,1.41,;.04,2.18,;.04,3.72,;2.71,3.72,;3.8,4.81,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [49-170] (Homo sapiens (Human))	BDBM363499 (9-(3,5-Dimethylisoxazol-4-yl)-5-methyl-3-pyridin-2...) Show SMILES Cc1noc(C)c1-c1ccc2c3c1OCC(c1ccccn1)n3n(C)c2=O |(.13,3.35,;1.47,2.58,;1.94,1.12,;3.48,1.12,;3.96,2.58,;5.29,3.35,;2.71,3.49,;2.71,5.03,;4.04,5.8,;4.04,7.34,;2.71,8.11,;1.38,7.34,;1.38,5.8,;.04,5.03,;-1.29,5.8,;-1.29,7.34,;-2.62,8.11,;-2.62,9.65,;-3.96,10.42,;-5.29,9.65,;-5.29,8.11,;-3.96,7.34,;.04,8.11,;.04,9.65,;-1.04,10.74,;2.71,9.65,;3.8,10.74,)| Show InChI InChI=1S/C20H18N4O3/c1-11-17(12(2)27-22-11)13-7-8-14-18-19(13)26-10-16(15-6-4-5-9-21-15)24(18)23(3)20(14)25/h4-9,16H,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [342-460] (Homo sapiens (Human))	BDBM363499 (9-(3,5-Dimethylisoxazol-4-yl)-5-methyl-3-pyridin-2...) Show SMILES Cc1noc(C)c1-c1ccc2c3c1OCC(c1ccccn1)n3n(C)c2=O |(.13,3.35,;1.47,2.58,;1.94,1.12,;3.48,1.12,;3.96,2.58,;5.29,3.35,;2.71,3.49,;2.71,5.03,;4.04,5.8,;4.04,7.34,;2.71,8.11,;1.38,7.34,;1.38,5.8,;.04,5.03,;-1.29,5.8,;-1.29,7.34,;-2.62,8.11,;-2.62,9.65,;-3.96,10.42,;-5.29,9.65,;-5.29,8.11,;-3.96,7.34,;.04,8.11,;.04,9.65,;-1.04,10.74,;2.71,9.65,;3.8,10.74,)| Show InChI InChI=1S/C20H18N4O3/c1-11-17(12(2)27-22-11)13-7-8-14-18-19(13)26-10-16(15-6-4-5-9-21-15)24(18)23(3)20(14)25/h4-9,16H,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [49-170] (Homo sapiens (Human))	BDBM363500 (9-(3,5-Dimethylisoxazol-4-yl)-6-methoxy-3-pyridin-...) Show SMILES COc1nn2C(COc3c(ccc1c23)-c1c(C)noc1C)c1ccccn1 |(3.4,12.23,;3.8,10.74,;2.71,9.65,;.04,9.65,;.04,8.11,;-1.29,7.34,;-1.29,5.8,;.04,5.03,;1.38,5.8,;2.71,5.03,;4.04,5.8,;4.04,7.34,;2.71,8.11,;1.38,7.34,;2.71,3.49,;1.47,2.58,;.13,3.35,;1.94,1.12,;3.48,1.12,;3.96,2.58,;5.29,3.35,;-2.62,8.11,;-2.62,9.65,;-3.96,10.42,;-5.29,9.65,;-5.29,8.11,;-3.96,7.34,)| Show InChI InChI=1S/C20H18N4O3/c1-11-17(12(2)27-23-11)13-7-8-14-18-19(13)26-10-16(15-6-4-5-9-21-15)24(18)22-20(14)25-3/h4-9,16H,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [342-460] (Homo sapiens (Human))	BDBM363500 (9-(3,5-Dimethylisoxazol-4-yl)-6-methoxy-3-pyridin-...) Show SMILES COc1nn2C(COc3c(ccc1c23)-c1c(C)noc1C)c1ccccn1 |(3.4,12.23,;3.8,10.74,;2.71,9.65,;.04,9.65,;.04,8.11,;-1.29,7.34,;-1.29,5.8,;.04,5.03,;1.38,5.8,;2.71,5.03,;4.04,5.8,;4.04,7.34,;2.71,8.11,;1.38,7.34,;2.71,3.49,;1.47,2.58,;.13,3.35,;1.94,1.12,;3.48,1.12,;3.96,2.58,;5.29,3.35,;-2.62,8.11,;-2.62,9.65,;-3.96,10.42,;-5.29,9.65,;-5.29,8.11,;-3.96,7.34,)| Show InChI InChI=1S/C20H18N4O3/c1-11-17(12(2)27-23-11)13-7-8-14-18-19(13)26-10-16(15-6-4-5-9-21-15)24(18)22-20(14)25-3/h4-9,16H,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [49-170] (Homo sapiens (Human))	BDBM363501 (US9850257, Example 8) Show SMILES Cc1noc(C)c1-c1ccc2cnn3C(COc1c23)c1ccccn1 |(.13,-2.42,;1.47,-3.19,;1.94,-4.65,;3.48,-4.65,;3.96,-3.19,;5.29,-2.42,;2.71,-2.28,;2.71,-.74,;4.04,.03,;4.04,1.57,;2.71,2.34,;2.71,3.88,;.04,3.88,;.04,2.34,;-1.29,1.57,;-1.29,.03,;.04,-.74,;1.38,.03,;1.38,1.57,;-2.62,2.34,;-2.62,3.88,;-3.96,4.65,;-5.29,3.88,;-5.29,2.34,;-3.96,1.57,)| Show InChI InChI=1S/C19H16N4O2/c1-11-17(12(2)25-22-11)14-7-6-13-9-21-23-16(10-24-19(14)18(13)23)15-5-3-4-8-20-15/h3-9,16H,10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [342-460] (Homo sapiens (Human))	BDBM363501 (US9850257, Example 8) Show SMILES Cc1noc(C)c1-c1ccc2cnn3C(COc1c23)c1ccccn1 |(.13,-2.42,;1.47,-3.19,;1.94,-4.65,;3.48,-4.65,;3.96,-3.19,;5.29,-2.42,;2.71,-2.28,;2.71,-.74,;4.04,.03,;4.04,1.57,;2.71,2.34,;2.71,3.88,;.04,3.88,;.04,2.34,;-1.29,1.57,;-1.29,.03,;.04,-.74,;1.38,.03,;1.38,1.57,;-2.62,2.34,;-2.62,3.88,;-3.96,4.65,;-5.29,3.88,;-5.29,2.34,;-3.96,1.57,)| Show InChI InChI=1S/C19H16N4O2/c1-11-17(12(2)25-22-11)14-7-6-13-9-21-23-16(10-24-19(14)18(13)23)15-5-3-4-8-20-15/h3-9,16H,10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [342-460] (Homo sapiens (Human))	BDBM363502 (US9850257, Example 9) Show SMILES Cc1noc(C)c1-c1cc(Br)c2cnn3C(COc1c23)c1ccccc1 |(.09,-2.42,;1.42,-3.19,;1.9,-4.65,;3.44,-4.65,;3.91,-3.19,;5.25,-2.42,;2.67,-2.28,;2.67,-.74,;4,.03,;4,1.57,;5.33,2.34,;2.67,2.34,;2.67,3.88,;,3.88,;,2.34,;-1.33,1.57,;-1.33,.03,;,-.74,;1.33,.03,;1.33,1.57,;-2.67,2.34,;-2.67,3.88,;-4,4.65,;-5.33,3.88,;-5.33,2.34,;-4,1.57,)| Show InChI InChI=1S/C20H16BrN3O2/c1-11-18(12(2)26-23-11)14-8-16(21)15-9-22-24-17(10-25-20(14)19(15)24)13-6-4-3-5-7-13/h3-9,17H,10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [342-460] (Homo sapiens (Human))	BDBM363503 (US9850257, Example 10) Show SMILES Cc1noc(C)c1-c1ccc2c3c1OCC(c1cccnc1)n3[nH]c2=O |(.13,-2.57,;1.47,-3.34,;1.94,-4.81,;3.48,-4.81,;3.96,-3.34,;5.29,-2.57,;2.71,-2.44,;2.71,-.9,;4.04,-.13,;4.04,1.41,;2.71,2.18,;1.38,1.41,;1.38,-.13,;.04,-.9,;-1.29,-.13,;-1.29,1.41,;-2.62,2.18,;-2.62,3.72,;-3.96,4.49,;-5.29,3.72,;-5.29,2.18,;-3.96,1.41,;.04,2.18,;.04,3.72,;2.71,3.72,;3.8,4.81,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [49-170] (Homo sapiens (Human))	BDBM50158618 (CHEMBL3787341 | US9850257, Example 11) Show SMILES Cc1noc(C)c1-c1ccc2c3c1OCC(c1cccnc1)n3n(C)c2=O |(1.14,-4.07,;-.04,-4.46,;-.51,-5.94,;-2.07,-5.95,;-2.55,-4.47,;-3.73,-4.08,;-1.3,-3.58,;-1.3,-2.02,;-2.63,-1.27,;-2.63,.25,;-1.3,1,;,.25,;,-1.27,;1.32,-2.02,;2.65,-1.27,;2.65,.25,;3.99,1.03,;5.34,.26,;6.68,1.04,;6.67,2.59,;5.32,3.36,;3.98,2.58,;1.32,1,;.93,2.51,;1.69,3.49,;-1,2.53,;-1.79,3.5,)| Show InChI InChI=1S/C20H18N4O3/c1-11-17(12(2)27-22-11)14-6-7-15-18-19(14)26-10-16(13-5-4-8-21-9-13)24(18)23(3)20(15)25/h4-9,16H,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [342-460] (Homo sapiens (Human))	BDBM363508 (US9850257, Example 13) Show SMILES Cc1noc(C)c1-c1cc(F)c2nnn3C(COc1c23)c1cccnc1 |(5.25,-2.42,;3.91,-3.19,;3.44,-4.65,;1.9,-4.65,;1.42,-3.19,;.09,-2.42,;2.67,-2.28,;2.67,-.74,;4,.03,;4,1.57,;5.33,2.34,;2.67,2.34,;2.12,3.83,;.54,3.83,;,2.34,;-1.33,1.57,;-1.33,.03,;,-.74,;1.33,.03,;1.33,1.57,;-2.67,2.34,;-4,1.57,;-5.33,2.34,;-5.33,3.88,;-4,4.65,;-2.67,3.88,)| Show InChI InChI=1S/C18H14FN5O2/c1-9-15(10(2)26-22-9)12-6-13(19)16-17-18(12)25-8-14(24(17)23-21-16)11-4-3-5-20-7-11/h3-7,14H,8H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [49-170] (Homo sapiens (Human))	BDBM363498 (US9850257, Example 5) Show SMILES Cc1noc(C)c1-c1ccc2c3c1OCC(c1ccccn1)n3[nH]c2=O |(.13,-2.57,;1.47,-3.34,;1.94,-4.81,;3.48,-4.81,;3.96,-3.34,;5.29,-2.57,;2.71,-2.44,;2.71,-.9,;4.04,-.13,;4.04,1.41,;2.71,2.18,;1.38,1.41,;1.38,-.13,;.04,-.9,;-1.29,-.13,;-1.29,1.41,;-2.62,2.18,;-2.62,3.72,;-3.96,4.49,;-5.29,3.72,;-5.29,2.18,;-3.96,1.41,;.04,2.18,;.04,3.72,;2.71,3.72,;3.8,4.81,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [49-170] (Homo sapiens (Human))	BDBM363503 (US9850257, Example 10) Show SMILES Cc1noc(C)c1-c1ccc2c3c1OCC(c1cccnc1)n3[nH]c2=O |(.13,-2.57,;1.47,-3.34,;1.94,-4.81,;3.48,-4.81,;3.96,-3.34,;5.29,-2.57,;2.71,-2.44,;2.71,-.9,;4.04,-.13,;4.04,1.41,;2.71,2.18,;1.38,1.41,;1.38,-.13,;.04,-.9,;-1.29,-.13,;-1.29,1.41,;-2.62,2.18,;-2.62,3.72,;-3.96,4.49,;-5.29,3.72,;-5.29,2.18,;-3.96,1.41,;.04,2.18,;.04,3.72,;2.71,3.72,;3.8,4.81,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [49-170] (Homo sapiens (Human))	BDBM363502 (US9850257, Example 9) Show SMILES Cc1noc(C)c1-c1cc(Br)c2cnn3C(COc1c23)c1ccccc1 |(.09,-2.42,;1.42,-3.19,;1.9,-4.65,;3.44,-4.65,;3.91,-3.19,;5.25,-2.42,;2.67,-2.28,;2.67,-.74,;4,.03,;4,1.57,;5.33,2.34,;2.67,2.34,;2.67,3.88,;,3.88,;,2.34,;-1.33,1.57,;-1.33,.03,;,-.74,;1.33,.03,;1.33,1.57,;-2.67,2.34,;-2.67,3.88,;-4,4.65,;-5.33,3.88,;-5.33,2.34,;-4,1.57,)| Show InChI InChI=1S/C20H16BrN3O2/c1-11-18(12(2)26-23-11)14-8-16(21)15-9-22-24-17(10-25-20(14)19(15)24)13-6-4-3-5-7-13/h3-9,17H,10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [49-170] (Homo sapiens (Human))	BDBM363508 (US9850257, Example 13) Show SMILES Cc1noc(C)c1-c1cc(F)c2nnn3C(COc1c23)c1cccnc1 |(5.25,-2.42,;3.91,-3.19,;3.44,-4.65,;1.9,-4.65,;1.42,-3.19,;.09,-2.42,;2.67,-2.28,;2.67,-.74,;4,.03,;4,1.57,;5.33,2.34,;2.67,2.34,;2.12,3.83,;.54,3.83,;,2.34,;-1.33,1.57,;-1.33,.03,;,-.74,;1.33,.03,;1.33,1.57,;-2.67,2.34,;-4,1.57,;-5.33,2.34,;-5.33,3.88,;-4,4.65,;-2.67,3.88,)| Show InChI InChI=1S/C18H14FN5O2/c1-9-15(10(2)26-22-9)12-6-13(19)16-17-18(12)25-8-14(24(17)23-21-16)11-4-3-5-20-7-11/h3-7,14H,8H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
					More data for this Ligand-Target Pair