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Compile Data Set for Download or QSAR

Found 677 hits of ic50 for UniProtKB: A0A024R4W4   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50266285
PNG
(CHEMBL4086276)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(CCCO)ccc(C1=O)c23
Show InChI InChI=1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3
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n/an/a 6n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BRD1 (E556 to A688 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 60: 157-169 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00923
BindingDB Entry DOI: 10.7270/Q2TM7DMZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50266298
PNG
(CHEMBL4075478)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(Cl)ccc(C1=O)c23
Show InChI InChI=1S/C22H16ClN3O3/c1-11-9-17-18(25(3)22(29)24(17)2)10-16(11)26-20(27)13-6-4-5-12-15(23)8-7-14(19(12)13)21(26)28/h4-10H,1-3H3
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n/an/a 37n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2 (563 to 688 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed by addition of C...


J Med Chem 60: 4002-4022 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00306
BindingDB Entry DOI: 10.7270/Q2XG9TKS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50157570
PNG
(4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-meth...)
Show SMILES COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N
Show InChI InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3
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n/an/a 46n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Binding affinity to BRPF2 (unknown origin) by isothermal titration calorimetry


J Med Chem 60: 6998-7011 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00611
BindingDB Entry DOI: 10.7270/Q2P55QZP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50249810
PNG
(CHEMBL4102050)
Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O
Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3
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n/an/a 48n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2 (556 to 688 residues) expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 6998-7011 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00611
BindingDB Entry DOI: 10.7270/Q2P55QZP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50249810
PNG
(CHEMBL4102050)
Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O
Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3
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n/an/a 48n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50266297
PNG
(CHEMBL4086958)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(Br)ccc(C1=O)c23
Show InChI InChI=1S/C22H16BrN3O3/c1-11-9-17-18(25(3)22(29)24(17)2)10-16(11)26-20(27)13-6-4-5-12-15(23)8-7-14(19(12)13)21(26)28/h4-10H,1-3H3
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n/an/a 51n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2 (563 to 688 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed by addition of C...


J Med Chem 60: 4002-4022 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00306
BindingDB Entry DOI: 10.7270/Q2XG9TKS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50266305
PNG
(CHEMBL4104538)
Show SMILES COC1CCN(CC1)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1cc2n(C)c(=O)n(C)c2cc1C
Show InChI InChI=1S/C28H28N4O4/c1-16-14-23-24(30(3)28(35)29(23)2)15-22(16)32-26(33)19-7-5-6-18-21(9-8-20(25(18)19)27(32)34)31-12-10-17(36-4)11-13-31/h5-9,14-15,17H,10-13H2,1-4H3
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n/an/a 53n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2 (563 to 688 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed by addition of C...


J Med Chem 60: 4002-4022 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00306
BindingDB Entry DOI: 10.7270/Q2XG9TKS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50266302
PNG
(CHEMBL4067968)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
Show InChI InChI=1S/C26H24N4O4/c1-15-13-21-22(28(3)26(33)27(21)2)14-20(15)30-24(31)17-6-4-5-16-19(29-9-11-34-12-10-29)8-7-18(23(16)17)25(30)32/h4-8,13-14H,9-12H2,1-3H3
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n/an/a 61n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2 (563 to 688 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed by addition of C...


J Med Chem 60: 4002-4022 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00306
BindingDB Entry DOI: 10.7270/Q2XG9TKS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50266285
PNG
(CHEMBL4086276)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(CCCO)ccc(C1=O)c23
Show InChI InChI=1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3
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n/an/a 62n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2 (563 to 688 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed by addition of C...


J Med Chem 60: 4002-4022 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00306
BindingDB Entry DOI: 10.7270/Q2XG9TKS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50266326
PNG
(CHEMBL4076603)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3cc(N)cc(C1=O)c23
Show InChI InChI=1S/C22H18N4O3/c1-11-7-17-18(25(3)22(29)24(17)2)10-16(11)26-20(27)14-6-4-5-12-8-13(23)9-15(19(12)14)21(26)28/h4-10H,23H2,1-3H3
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n/an/a 63n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2 (563 to 688 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed by addition of C...


J Med Chem 60: 4002-4022 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00306
BindingDB Entry DOI: 10.7270/Q2XG9TKS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50266303
PNG
(CHEMBL4065133)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCC(O)CC1
Show InChI InChI=1S/C27H26N4O4/c1-15-13-22-23(29(3)27(35)28(22)2)14-21(15)31-25(33)18-6-4-5-17-20(30-11-9-16(32)10-12-30)8-7-19(24(17)18)26(31)34/h4-8,13-14,16,32H,9-12H2,1-3H3
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n/an/a 66n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2 (563 to 688 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed by addition of C...


J Med Chem 60: 4002-4022 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00306
BindingDB Entry DOI: 10.7270/Q2XG9TKS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50266285
PNG
(CHEMBL4086276)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(CCCO)ccc(C1=O)c23
Show InChI InChI=1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3
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n/an/a 67n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2 (563 to 688 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed by addition of C...


J Med Chem 60: 4002-4022 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00306
BindingDB Entry DOI: 10.7270/Q2XG9TKS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50266338
PNG
(CHEMBL4059651)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(CCCCO)ccc(C1=O)c23
Show InChI InChI=1S/C26H25N3O4/c1-15-13-21-22(28(3)26(33)27(21)2)14-20(15)29-24(31)18-9-6-8-17-16(7-4-5-12-30)10-11-19(23(17)18)25(29)32/h6,8-11,13-14,30H,4-5,7,12H2,1-3H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2 (563 to 688 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed by addition of C...


J Med Chem 60: 4002-4022 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00306
BindingDB Entry DOI: 10.7270/Q2XG9TKS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50266314
PNG
(CHEMBL4064164)
Show SMILES CN(C)CCN1CCN(CC1)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1cc2n(C)c(=O)n(C)c2cc1C
Show InChI InChI=1S/C30H34N6O3/c1-19-17-25-26(33(5)30(39)32(25)4)18-24(19)36-28(37)21-8-6-7-20-23(10-9-22(27(20)21)29(36)38)35-15-13-34(14-16-35)12-11-31(2)3/h6-10,17-18H,11-16H2,1-5H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2 (563 to 688 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed by addition of C...


J Med Chem 60: 4002-4022 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00306
BindingDB Entry DOI: 10.7270/Q2XG9TKS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50266285
PNG
(CHEMBL4086276)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(CCCO)ccc(C1=O)c23
Show InChI InChI=1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2 (563 to 688 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed by addition of C...


J Med Chem 60: 4002-4022 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00306
BindingDB Entry DOI: 10.7270/Q2XG9TKS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50266340
PNG
(CHEMBL4076067)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCN(CC2CC2)CC1
Show InChI InChI=1S/C30H31N5O3/c1-18-15-25-26(32(3)30(38)31(25)2)16-24(18)35-28(36)21-6-4-5-20-23(10-9-22(27(20)21)29(35)37)34-13-11-33(12-14-34)17-19-7-8-19/h4-6,9-10,15-16,19H,7-8,11-14,17H2,1-3H3
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n/an/a 80n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2 (563 to 688 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed by addition of C...


J Med Chem 60: 4002-4022 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00306
BindingDB Entry DOI: 10.7270/Q2XG9TKS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50249787
PNG
(CHEMBL4103077)
Show SMILES COc1cc2n(C)c(=O)c(C)cc2cc1NS(=O)(=O)c1ccc(cc1OC)C#N
Show InChI InChI=1S/C20H19N3O5S/c1-12-7-14-9-15(17(27-3)10-16(14)23(2)20(12)24)22-29(25,26)19-6-5-13(11-21)8-18(19)28-4/h5-10,22H,1-4H3
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University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2 (556 to 688 residues) expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 6998-7011 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00611
BindingDB Entry DOI: 10.7270/Q2P55QZP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50266299
PNG
(CHEMBL4068180)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3cc(cc(C1=O)c23)[N+]([O-])=O
Show InChI InChI=1S/C22H16N4O5/c1-11-7-17-18(24(3)22(29)23(17)2)10-16(11)25-20(27)14-6-4-5-12-8-13(26(30)31)9-15(19(12)14)21(25)28/h4-10H,1-3H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2 (563 to 688 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed by addition of C...


J Med Chem 60: 4002-4022 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00306
BindingDB Entry DOI: 10.7270/Q2XG9TKS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50266322
PNG
(CHEMBL4091912)
Show SMILES CN(CCN1CCCC1)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1cc2n(C)c(=O)n(C)c2cc1C
Show InChI InChI=1S/C29H31N5O3/c1-18-16-24-25(32(4)29(37)31(24)3)17-23(18)34-27(35)20-9-7-8-19-22(11-10-21(26(19)20)28(34)36)30(2)14-15-33-12-5-6-13-33/h7-11,16-17H,5-6,12-15H2,1-4H3
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n/an/a 84n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2 (563 to 688 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed by addition of C...


J Med Chem 60: 4002-4022 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00306
BindingDB Entry DOI: 10.7270/Q2XG9TKS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50266304
PNG
(CHEMBL4072812)
Show SMILES CN1CCN(CC1)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1cc2n(C)c(=O)n(C)c2cc1C
Show InChI InChI=1S/C27H27N5O3/c1-16-14-22-23(30(4)27(35)29(22)3)15-21(16)32-25(33)18-7-5-6-17-20(31-12-10-28(2)11-13-31)9-8-19(24(17)18)26(32)34/h5-9,14-15H,10-13H2,1-4H3
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n/an/a 93n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2 (563 to 688 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed by addition of C...


J Med Chem 60: 4002-4022 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00306
BindingDB Entry DOI: 10.7270/Q2XG9TKS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50266292
PNG
(CHEMBL4098824)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C22H17N3O3/c1-12-10-17-18(24(3)22(28)23(17)2)11-16(12)25-20(26)14-8-4-6-13-7-5-9-15(19(13)14)21(25)27/h4-11H,1-3H3
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n/an/a 94n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2 (563 to 688 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed by addition of C...


J Med Chem 60: 4002-4022 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00306
BindingDB Entry DOI: 10.7270/Q2XG9TKS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50266306
PNG
(CHEMBL4092917)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1
Show InChI InChI=1S/C27H26N4O3/c1-16-14-22-23(29(3)27(34)28(22)2)15-21(16)31-25(32)18-9-7-8-17-20(30-12-5-4-6-13-30)11-10-19(24(17)18)26(31)33/h7-11,14-15H,4-6,12-13H2,1-3H3
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n/an/a 95n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2 (563 to 688 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed by addition of C...


J Med Chem 60: 4002-4022 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00306
BindingDB Entry DOI: 10.7270/Q2XG9TKS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50266285
PNG
(CHEMBL4086276)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(CCCO)ccc(C1=O)c23
Show InChI InChI=1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3
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n/an/a 97n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2 (563 to 688 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 using biotin-acetylated histone H4 peptide as subs...


J Med Chem 60: 4002-4022 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00306
BindingDB Entry DOI: 10.7270/Q2XG9TKS
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318685
PNG
(N-{(3R)-1-[(4S)-7-(3,5- dimethylisoxazol-4-yl)-4-p...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CC[C@H](C3)NC(=O)C3CCOCC3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C29H32N6O4/c1-17-25(18(2)39-33-17)21-6-7-23-26-27(21)38-16-24(22-5-3-4-11-30-22)35(26)29(32-23)34-12-8-20(15-34)31-28(36)19-9-13-37-14-10-19/h3-7,11,19-20,24H,8-10,12-16H2,1-2H3,(H,31,36)/t20-,24-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318686
PNG
(N-{(3R)-1-[(4S)-7-(3,5- dimethylisoxazol-4-yl)-4-p...)
Show SMILES CCS(=O)(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C25H28N6O4S/c1-4-36(32,33)29-17-10-12-30(13-17)25-27-20-9-8-18(22-15(2)28-35-16(22)3)24-23(20)31(25)21(14-34-24)19-7-5-6-11-26-19/h5-9,11,17,21,29H,4,10,12-14H2,1-3H3/t17-,21-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM420107
PNG
(N-{(3R)-1-[(4S)-7-(3,5- dimethylisoxazol-4-yl)-4-p...)
Show SMILES CCCS(=O)(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3cnoc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C25H28N6O4S/c1-3-12-36(32,33)29-17-9-11-30(14-17)25-28-21-8-7-18(19-13-27-35-16(19)2)24-23(21)31(25)22(15-34-24)20-6-4-5-10-26-20/h4-8,10,13,17,22,29H,3,9,11-12,14-15H2,1-2H3/t17-,22-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318688
PNG
(N'-{(3R)-1-[(4S)-7-(3,5- dimethylisoxazol-4-yl)-4-...)
Show SMILES CN(C)C(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C26H29N7O3/c1-15-22(16(2)36-30-15)18-8-9-20-23-24(18)35-14-21(19-7-5-6-11-27-19)33(23)25(29-20)32-12-10-17(13-32)28-26(34)31(3)4/h5-9,11,17,21H,10,12-14H2,1-4H3,(H,28,34)/t17-,21-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318689
PNG
(N-{(3R)-1-[(4S)-7-(3,5- dimethylisoxazol-4-yl)-4-p...)
Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C26H30N6O4S/c1-15(2)37(33,34)30-18-10-12-31(13-18)26-28-21-9-8-19(23-16(3)29-36-17(23)4)25-24(21)32(26)22(14-35-25)20-7-5-6-11-27-20/h5-9,11,15,18,22,30H,10,12-14H2,1-4H3/t18-,22-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318690
PNG
(N-{(3R)-1-[(4S)-7-(3,5- dimethylisoxazol-4-yl)-4-p...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CC[C@H](C3)NS(=O)(=O)C3CC3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C26H28N6O4S/c1-15-23(16(2)36-29-15)19-8-9-21-24-25(19)35-14-22(20-5-3-4-11-27-20)32(24)26(28-21)31-12-10-17(13-31)30-37(33,34)18-6-7-18/h3-5,8-9,11,17-18,22,30H,6-7,10,12-14H2,1-2H3/t17-,22-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM420111
PNG
(US10464947, Example 219 | methyl {(3R)-1-[(4S)-7-(...)
Show SMILES COC(=O)NC[C@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C26H28N6O4/c1-15-22(16(2)36-30-15)18-7-8-20-23-24(18)35-14-21(19-6-4-5-10-27-19)32(23)25(29-20)31-11-9-17(13-31)12-28-26(33)34-3/h4-8,10,17,21H,9,11-14H2,1-3H3,(H,28,33)/t17-,21-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318692
PNG
(N-{(3R)-1-[(4S)-7-(3,5- dimethylisoxazol-4-yl)-4-p...)
Show SMILES CN([C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)S(C)(=O)=O
Show InChI InChI=1S/C25H28N6O4S/c1-15-22(16(2)35-28-15)18-8-9-20-23-24(18)34-14-21(19-7-5-6-11-26-19)31(23)25(27-20)30-12-10-17(13-30)29(3)36(4,32)33/h5-9,11,17,21H,10,12-14H2,1-4H3/t17-,21-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318693
PNG
(N-{(3R)-1-[(4S)-7-(3,5- dimethylisoxazol-4-yl)-4-p...)
Show SMILES COCC(=O)N(C)[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C27H30N6O4/c1-16-24(17(2)37-30-16)19-8-9-21-25-26(19)36-14-22(20-7-5-6-11-28-20)33(25)27(29-21)32-12-10-18(13-32)31(3)23(34)15-35-4/h5-9,11,18,22H,10,12-15H2,1-4H3/t18-,22-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318694
PNG
(N-{(3R)-1-[(4S)-7-(3,5- dimethylisoxazol-4-yl)-4-p...)
Show SMILES CN([C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(C)=O
Show InChI InChI=1S/C26H28N6O3/c1-15-23(16(2)35-29-15)19-8-9-21-24-25(19)34-14-22(20-7-5-6-11-27-20)32(24)26(28-21)31-12-10-18(13-31)30(4)17(3)33/h5-9,11,18,22H,10,12-14H2,1-4H3/t18-,22-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318695
PNG
((4S)-2-(4-acetylpiperazin-1-yl)-7-(3,5- dimethylis...)
Show SMILES CC(=O)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C25H26N6O3/c1-15-22(16(2)34-28-15)18-7-8-20-23-24(18)33-14-21(19-6-4-5-9-26-19)31(23)25(27-20)30-12-10-29(11-13-30)17(3)32/h4-9,21H,10-14H2,1-3H3/t21-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318696
PNG
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-(4- propionyl...)
Show SMILES CCC(=O)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C26H28N6O3/c1-4-22(33)30-11-13-31(14-12-30)26-28-20-9-8-18(23-16(2)29-35-17(23)3)25-24(20)32(26)21(15-34-25)19-7-5-6-10-27-19/h5-10,21H,4,11-15H2,1-3H3/t21-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318697
PNG
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[4- (ethylsul...)
Show SMILES CCS(=O)(=O)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C25H28N6O4S/c1-4-36(32,33)30-13-11-29(12-14-30)25-27-20-9-8-18(22-16(2)28-35-17(22)3)24-23(20)31(25)21(15-34-24)19-7-5-6-10-26-19/h5-10,21H,4,11-15H2,1-3H3/t21-/m1/s1
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Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318698
PNG
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[4- (2-oxo-2-...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCN(CC(=O)N4CCCC4)CC3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C29H33N7O3/c1-19-26(20(2)39-32-19)21-8-9-23-27-28(21)38-18-24(22-7-3-4-10-30-22)36(27)29(31-23)35-15-13-33(14-16-35)17-25(37)34-11-5-6-12-34/h3-4,7-10,24H,5-6,11-18H2,1-2H3/t24-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318699
PNG
(4-[(4S)-7-(3,5-dimethylisoxazol-4-yl)-4- pyridin-2...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCN(CC3)S(N)(=O)=O)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C23H25N7O4S/c1-14-20(15(2)34-27-14)16-6-7-18-21-22(16)33-13-19(17-5-3-4-8-25-17)30(21)23(26-18)28-9-11-29(12-10-28)35(24,31)32/h3-8,19H,9-13H2,1-2H3,(H2,24,31,32)/t19-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318700
PNG
(1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)-4- pyridin-2...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CC(N)C3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C22H22N6O2/c1-12-19(13(2)30-26-12)15-6-7-17-20-21(15)29-11-18(16-5-3-4-8-24-16)28(20)22(25-17)27-9-14(23)10-27/h3-8,14,18H,9-11,23H2,1-2H3/t18-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318701
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES CC(=O)NC1CN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C24H24N6O3/c1-13-21(14(2)33-28-13)17-7-8-19-22-23(17)32-12-20(18-6-4-5-9-25-18)30(22)24(27-19)29-10-16(11-29)26-15(3)31/h4-9,16,20H,10-12H2,1-3H3,(H,26,31)/t20-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318702
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES CCC(=O)NC1CN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C25H26N6O3/c1-4-21(32)27-16-11-30(12-16)25-28-19-9-8-17(22-14(2)29-34-15(22)3)24-23(19)31(25)20(13-33-24)18-7-5-6-10-26-18/h5-10,16,20H,4,11-13H2,1-3H3,(H,27,32)/t20-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318703
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES CC(C)C(=O)NC1CN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C26H28N6O3/c1-14(2)25(33)28-17-11-31(12-17)26-29-20-9-8-18(22-15(3)30-35-16(22)4)24-23(20)32(26)21(13-34-24)19-7-5-6-10-27-19/h5-10,14,17,21H,11-13H2,1-4H3,(H,28,33)/t21-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318704
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES COCC(=O)NC1CN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C25H26N6O4/c1-14-22(15(2)35-29-14)17-7-8-19-23-24(17)34-12-20(18-6-4-5-9-26-18)31(23)25(28-19)30-10-16(11-30)27-21(32)13-33-3/h4-9,16,20H,10-13H2,1-3H3,(H,27,32)/t20-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318705
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CC(C3)NC(=O)C3CC3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C26H26N6O3/c1-14-22(15(2)35-30-14)18-8-9-20-23-24(18)34-13-21(19-5-3-4-10-27-19)32(23)26(29-20)31-11-17(12-31)28-25(33)16-6-7-16/h3-5,8-10,16-17,21H,6-7,11-13H2,1-2H3,(H,28,33)/t21-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318706
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CC(C3)NC(=O)C3CCC3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C27H28N6O3/c1-15-23(16(2)36-31-15)19-9-10-21-24-25(19)35-14-22(20-8-3-4-11-28-20)33(24)27(30-21)32-12-18(13-32)29-26(34)17-6-5-7-17/h3-4,8-11,17-18,22H,5-7,12-14H2,1-2H3,(H,29,34)/t22-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318707
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CC(C3)NS(C)(=O)=O)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C23H24N6O4S/c1-13-20(14(2)33-26-13)16-7-8-18-21-22(16)32-12-19(17-6-4-5-9-24-17)29(21)23(25-18)28-10-15(11-28)27-34(3,30)31/h4-9,15,19,27H,10-12H2,1-3H3/t19-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318708
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES CCS(=O)(=O)NC1CN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C24H26N6O4S/c1-4-35(31,32)28-16-11-29(12-16)24-26-19-9-8-17(21-14(2)27-34-15(21)3)23-22(19)30(24)20(13-33-23)18-7-5-6-10-25-18/h5-10,16,20,28H,4,11-13H2,1-3H3/t20-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318710
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)NS(C)(=O)=O)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C25H28N6O4S/c1-15-22(16(2)35-28-15)18-7-8-20-23-24(18)34-14-21(19-6-4-5-11-26-19)31(23)25(27-20)30-12-9-17(10-13-30)29-36(3,32)33/h4-8,11,17,21,29H,9-10,12-14H2,1-3H3/t21-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318709
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES CC(C)S(=O)(=O)NC1CN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C25H28N6O4S/c1-14(2)36(32,33)29-17-11-30(12-17)25-27-20-9-8-18(22-15(3)28-35-16(22)4)24-23(20)31(25)21(13-34-24)19-7-5-6-10-26-19/h5-10,14,17,21,29H,11-13H2,1-4H3/t21-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318711
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES COCC(=O)NC1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C27H30N6O4/c1-16-24(17(2)37-31-16)19-7-8-21-25-26(19)36-14-22(20-6-4-5-11-28-20)33(25)27(30-21)32-12-9-18(10-13-32)29-23(34)15-35-3/h4-8,11,18,22H,9-10,12-15H2,1-3H3,(H,29,34)/t22-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US10464947 (2019)


BindingDB Entry DOI: 10.7270/Q2TT4TB8
More data for this
Ligand-Target Pair
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