BindingDB logo
myBDB logout

Patent code US9725449

Compile Data Set for Download or QSAR

Found 371 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331348
PNG
(4-[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-oxan-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(ccc21)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C30H33N7O3S/c1-20-28(35(2)34-33-20)23-18-25-27(31-19-23)24-8-9-26(36-12-16-41(38,39)17-13-36)32-30(24)37(25)29(21-6-4-3-5-7-21)22-10-14-40-15-11-22/h3-9,18-19,22,29H,10-17H2,1-2H3/t29-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331412
PNG
(8-[(3-Fluoropyridin-2-yl)(oxan-4-yl)methyl]-5,11-b...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ncccc1F)c1nc(ccc21)-c1c(C)nnn1C
Show InChI InChI=1S/C29H29FN10O/c1-16-26(38(3)36-34-16)19-14-23-24(32-15-19)20-7-8-22(27-17(2)35-37-39(27)4)33-29(20)40(23)28(18-9-12-41-13-10-18)25-21(30)6-5-11-31-25/h5-8,11,14-15,18,28H,9-10,12-13H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331417
PNG
(11-[(3R,5S)-3,5-Dimethylpiperazin-1-yl]-5-[4-(2H3)...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C32H38N8O/c1-20-18-39(19-21(2)34-20)28-11-10-26-29-27(16-25(17-33-29)30-22(3)36-37-38(30)4)40(32(26)35-28)31(23-8-6-5-7-9-23)24-12-14-41-15-13-24/h5-11,16-17,20-21,24,31,34H,12-15,18-19H2,1-4H3/t20-,21+,31-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331441
PNG
(2-{10-Fluoro-5-[4-(2H3)methyl-1-methyl-1H-1,2,3-tr...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ncc21)C(C)(C)O
Show InChI InChI=1S/C29H31FN6O2/c1-17-25(35(4)34-33-17)20-14-22-24(31-15-20)21-16-32-28(29(2,3)37)23(30)27(21)36(22)26(18-8-6-5-7-9-18)19-10-12-38-13-11-19/h5-9,14-16,19,26,37H,10-13H2,1-4H3/t26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331452
PNG
(8-[(4,4-Difluorocyclohexyl)(phenyl)methyl]-5-(dime...)
Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n(C(C1CCC(F)(F)CC1)c1ccccc1)c1c(cncc21)S(C)(=O)=O
Show InChI InChI=1S/C28H28F2N6O2S/c1-17-25(35(2)34-33-17)20-13-22-24(32-14-20)21-15-31-16-23(39(3,37)38)27(21)36(22)26(18-7-5-4-6-8-18)19-9-11-28(29,30)12-10-19/h4-8,13-16,19,26H,9-12H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331458
PNG
(5-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl]-8...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(NCCc3nnn[nH]3)ccc21
Show InChI InChI=1S/C29H31N11O/c1-18-27(39(2)38-33-18)21-16-23-26(31-17-21)22-8-9-24(30-13-10-25-34-36-37-35-25)32-29(22)40(23)28(19-6-4-3-5-7-19)20-11-14-41-15-12-20/h3-9,16-17,20,28H,10-15H2,1-2H3,(H,30,32)(H,34,35,36,37)/t28-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331179
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-10-methoxy-8-[(...)
Show SMILES COc1nccc2c3ncc(cc3n([C@@H](C3CCOCC3)c3ccccc3)c12)-c1c(C)nnn1C
Show InChI InChI=1S/C27H28N6O2/c1-17-24(32(2)31-30-17)20-15-22-23(29-16-20)21-9-12-28-27(34-3)26(21)33(22)25(18-7-5-4-6-8-18)19-10-13-35-14-11-19/h4-9,12,15-16,19,25H,10-11,13-14H2,1-3H3/t25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331195
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-10-fluoro-8-[(S...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1F)c1c(F)nccc21
Show InChI InChI=1S/C26H24F2N6O/c1-15-23(33(2)32-31-15)17-13-21-22(30-14-17)19-7-10-29-26(28)25(19)34(21)24(16-8-11-35-12-9-16)18-5-3-4-6-20(18)27/h3-7,10,13-14,16,24H,8-9,11-12H2,1-2H3/t24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331199
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-13-methanesulfo...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1ccnc(c21)S(C)(=O)=O
Show InChI InChI=1S/C27H28N6O3S/c1-17-25(32(2)31-30-17)20-15-22-24(29-16-20)23-21(9-12-28-27(23)37(3,34)35)33(22)26(18-7-5-4-6-8-18)19-10-13-36-14-11-19/h4-9,12,15-16,19,26H,10-11,13-14H2,1-3H3/t26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331219
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-13-ethoxy-10-me...)
Show SMILES CCOc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O
Show InChI InChI=1S/C29H32N6O4S/c1-5-39-29-24-25-22(15-21(16-30-25)26-18(2)32-33-34(26)3)35(28(24)23(17-31-29)40(4,36)37)27(19-9-7-6-8-10-19)20-11-13-38-14-12-20/h6-10,15-17,20,27H,5,11-14H2,1-4H3/t27-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331223
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-10-methanesulfo...)
Show SMILES CC(C)Oc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O
Show InChI InChI=1S/C30H34N6O4S/c1-18(2)40-30-25-26-23(15-22(16-31-26)27-19(3)33-34-35(27)4)36(29(25)24(17-32-30)41(5,37)38)28(20-9-7-6-8-10-20)21-11-13-39-14-12-21/h6-10,15-18,21,28H,11-14H2,1-5H3/t28-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331229
PNG
(2-({8-[(S)-(2-Fluorophenyl)(oxan-4-yl)methyl]-10-m...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1F)c1c(cnc(OCCO)c21)S(C)(=O)=O
Show InChI InChI=1S/C29H31FN6O5S/c1-17-26(35(2)34-33-17)19-14-22-25(31-15-19)24-28(23(42(3,38)39)16-32-29(24)41-13-10-37)36(22)27(18-8-11-40-12-9-18)20-6-4-5-7-21(20)30/h4-7,14-16,18,27,37H,8-13H2,1-3H3/t27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331236
PNG
(8-[(3-Fluoropyridin-2-yl)(oxan-4-yl)methyl]-10-met...)
Show SMILES CC(C)Oc1ncc(c2n(C(C3CCOCC3)c3ncccc3F)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O
Show InChI InChI=1S/C29H32FN7O4S/c1-16(2)41-29-23-25-21(13-19(14-32-25)26-17(3)34-35-36(26)4)37(28(23)22(15-33-29)42(5,38)39)27(18-8-11-40-12-9-18)24-20(30)7-6-10-31-24/h6-7,10,13-16,18,27H,8-9,11-12H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331281
PNG
(N-Ethyl-10-methanesulfonyl-N-methyl-5-[4-(2H3)meth...)
Show SMILES CCN(C)c1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O
Show InChI InChI=1S/C30H35N7O3S/c1-6-35(3)30-25-26-23(16-22(17-31-26)27-19(2)33-34-36(27)4)37(29(25)24(18-32-30)41(5,38)39)28(20-10-8-7-9-11-20)21-12-14-40-15-13-21/h7-11,16-18,21,28H,6,12-15H2,1-5H3/t28-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331347
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-N,N-dimethyl-8-...)
Show SMILES CN(C)c1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C28H31N7O/c1-18-26(34(4)32-31-18)21-16-23-25(29-17-21)22-10-11-24(33(2)3)30-28(22)35(23)27(19-8-6-5-7-9-19)20-12-14-36-15-13-20/h5-11,16-17,20,27H,12-15H2,1-4H3/t27-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331358
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-11-(4-methanesu...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(ccc21)N1CCC(CC1)S(C)(=O)=O
Show InChI InChI=1S/C32H37N7O3S/c1-21-30(37(2)36-35-21)24-19-27-29(33-20-24)26-9-10-28(38-15-11-25(12-16-38)43(3,40)41)34-32(26)39(27)31(22-7-5-4-6-8-22)23-13-17-42-18-14-23/h4-10,19-20,23,25,31H,11-18H2,1-3H3/t31-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331435
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-(2-fluor...)
Show SMILES CN1CCC(CC1)N1CCN(CC1)c1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1F)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C36H44FN9O/c1-24-34(43(3)41-40-24)26-22-31-33(38-23-26)29-8-9-32(45-18-16-44(17-19-45)27-10-14-42(2)15-11-27)39-36(29)46(31)35(25-12-20-47-21-13-25)28-6-4-5-7-30(28)37/h4-9,22-23,25,27,35H,10-21H2,1-3H3/t35-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331454
PNG
(2-{5-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(cncc21)C(C)(C)O
Show InChI InChI=1S/C29H32N6O2/c1-18-26(34(4)33-32-18)21-14-24-25(31-15-21)22-16-30-17-23(29(2,3)36)28(22)35(24)27(19-8-6-5-7-9-19)20-10-12-37-13-11-20/h5-9,14-17,20,27,36H,10-13H2,1-4H3/t27-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331465
PNG
(5-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl]-8...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cncc(NCC(F)(F)F)c21
Show InChI InChI=1S/C28H28F3N7O/c1-17-26(37(2)36-35-17)20-12-22-25(33-13-20)24-21(34-16-28(29,30)31)14-32-15-23(24)38(22)27(18-6-4-3-5-7-18)19-8-10-39-11-9-19/h3-7,12-15,19,27,34H,8-11,16H2,1-2H3/t27-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331505
PNG
(2-{8-[(4,4-Difluorocyclohexyl)(phenyl)methyl]-13-m...)
Show SMILES COc1nc(cc2n(C(C3CCC(F)(F)CC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)n[nH]n1C)C(C)(C)O
Show InChI InChI=1S/C31H34F2N6O2/c1-18-27(38(4)37-36-18)21-15-23-26(34-17-21)25-22(16-24(30(2,3)40)35-29(25)41-5)39(23)28(19-9-7-6-8-10-19)20-11-13-31(32,33)14-12-20/h6-10,15-17,20,28,40H,11-14H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331216
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-(2-fluor...)
Show SMILES COc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3F)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O
Show InChI InChI=1S/C28H29FN6O4S/c1-16-25(34(2)33-32-16)18-13-21-24(30-14-18)23-27(22(40(4,36)37)15-31-28(23)38-3)35(21)26(17-9-11-39-12-10-17)19-7-5-6-8-20(19)29/h5-8,13-15,17,26H,9-12H2,1-4H3/t26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331219
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-13-ethoxy-10-me...)
Show SMILES CCOc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O
Show InChI InChI=1S/C29H32N6O4S/c1-5-39-29-24-25-22(15-21(16-30-25)26-18(2)32-33-34(26)3)35(28(24)23(17-31-29)40(4,36)37)27(19-9-7-6-8-10-19)20-11-13-38-14-12-20/h6-10,15-17,20,27H,5,11-14H2,1-4H3/t27-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331234
PNG
(13-Ethoxy-8-[(3-fluoropyridin-2-yl)(oxan-4-yl)meth...)
Show SMILES CCOc1ncc(c2n(C(C3CCOCC3)c3ncccc3F)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O
Show InChI InChI=1S/C28H30FN7O4S/c1-5-40-28-22-24-20(13-18(14-31-24)25-16(2)33-34-35(25)3)36(27(22)21(15-32-28)41(4,37)38)26(17-8-11-39-12-9-17)23-19(29)7-6-10-30-23/h6-7,10,13-15,17,26H,5,8-9,11-12H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331245
PNG
(8-[(S)-(4-Fluorophenyl)(oxan-4-yl)methyl]-10-metha...)
Show SMILES CC(C)Oc1ncc(c2n([C@@H](C3CCOCC3)c3ccc(F)cc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O
Show InChI InChI=1S/C30H33FN6O4S/c1-17(2)41-30-25-26-23(14-21(15-32-26)27-18(3)34-35-36(27)4)37(29(25)24(16-33-30)42(5,38)39)28(20-10-12-40-13-11-20)19-6-8-22(31)9-7-19/h6-9,14-17,20,28H,10-13H2,1-5H3/t28-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331246
PNG
(8-[(S)-(2-Fluorophenyl)(oxan-4-yl)methyl]-10-metha...)
Show SMILES CC(C)Oc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3F)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O
Show InChI InChI=1S/C30H33FN6O4S/c1-17(2)41-30-25-26-23(14-20(15-32-26)27-18(3)34-35-36(27)4)37(29(25)24(16-33-30)42(5,38)39)28(19-10-12-40-13-11-19)21-8-6-7-9-22(21)31/h6-9,14-17,19,28H,10-13H2,1-5H3/t28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331263
PNG
(N-[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-10-methanesu...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(cnc(NS(=O)(=O)C3CC3)c21)S(C)(=O)=O
Show InChI InChI=1S/C30H33N7O5S2/c1-18-27(36(2)35-33-18)21-15-23-26(31-16-21)25-29(24(43(3,38)39)17-32-30(25)34-44(40,41)22-9-10-22)37(23)28(19-7-5-4-6-8-19)20-11-13-42-14-12-20/h4-8,15-17,20,22,28H,9-14H2,1-3H3,(H,32,34)/t28-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331329
PNG
(5,11-Bis(dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-ox...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(ccc21)-c1c(C)nnn1C
Show InChI InChI=1S/C30H31N9O/c1-18-27(37(3)35-33-18)22-16-25-26(31-17-22)23-10-11-24(28-19(2)34-36-38(28)4)32-30(23)39(25)29(20-8-6-5-7-9-20)21-12-14-40-15-13-21/h5-11,16-17,21,29H,12-15H2,1-4H3/t29-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331340
PNG
(2-[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-oxan-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(ccc21)C(C)(C)O
Show InChI InChI=1S/C29H32N6O2/c1-18-26(34(4)33-32-18)21-16-23-25(30-17-21)22-10-11-24(29(2,3)36)31-28(22)35(23)27(19-8-6-5-7-9-19)20-12-14-37-15-13-20/h5-11,16-17,20,27,36H,12-15H2,1-4H3/t27-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331356
PNG
(4-[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-oxan-...)
Show SMILES CC1CN(CC(C)S1(=O)=O)c1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C32H37N7O3S/c1-20-18-38(19-21(2)43(20,40)41)28-11-10-26-29-27(16-25(17-33-29)30-22(3)35-36-37(30)4)39(32(26)34-28)31(23-8-6-5-7-9-23)24-12-14-42-15-13-24/h5-11,16-17,20-21,24,31H,12-15,18-19H2,1-4H3/t20?,21?,31-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331379
PNG
(4-[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-oxan-...)
Show SMILES CC1CN(CCS1(=O)=O)c1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C31H35N7O3S/c1-20-19-37(13-16-42(20,39)40)27-10-9-25-28-26(17-24(18-32-28)29-21(2)34-35-36(29)3)38(31(25)33-27)30(22-7-5-4-6-8-22)23-11-14-41-15-12-23/h4-10,17-18,20,23,30H,11-16,19H2,1-3H3/t20?,30-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331451
PNG
(11-(Cyclopropylmethoxy)-5-[4-(2H3)methyl-1-methyl-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(OCC3CC3)ncc21
Show InChI InChI=1S/C30H32N6O2/c1-19-29(35(2)34-33-19)23-14-26-28(32-16-23)24-17-31-27(38-18-20-8-9-20)15-25(24)36(26)30(21-6-4-3-5-7-21)22-10-12-37-13-11-22/h3-7,14-17,20,22,30H,8-13,18H2,1-2H3/t30-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331505
PNG
(2-{8-[(4,4-Difluorocyclohexyl)(phenyl)methyl]-13-m...)
Show SMILES COc1nc(cc2n(C(C3CCC(F)(F)CC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)n[nH]n1C)C(C)(C)O
Show InChI InChI=1S/C31H34F2N6O2/c1-18-27(38(4)37-36-18)21-15-23-26(34-17-21)25-22(16-24(30(2,3)40)35-29(25)41-5)39(23)28(19-9-7-6-8-10-19)20-11-13-31(32,33)14-12-20/h6-10,15-17,20,28,40H,11-14H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331207
PNG
(10-Chloro-5-(dimethyl-1H-1,2,3-triazol-5-yl)-N,N-d...)
Show SMILES CN(C)c1ncc(Cl)c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C
Show InChI InChI=1S/C28H30ClN7O/c1-17-25(35(4)33-32-17)20-14-22-24(30-15-20)23-27(21(29)16-31-28(23)34(2)3)36(22)26(18-8-6-5-7-9-18)19-10-12-37-13-11-19/h5-9,14-16,19,26H,10-13H2,1-4H3/t26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331215
PNG
(5-(Dimethyl-1,2-oxazol-4-yl)-8-[(S)-(4-fluoropheny...)
Show SMILES COc1ncc(c2n([C@@H](C3CCOCC3)c3ccc(F)cc3)c3cc(cnc3c12)-c1c(C)noc1C)S(C)(=O)=O
Show InChI InChI=1S/C29H29FN4O5S/c1-16-24(17(2)39-33-16)20-13-22-26(31-14-20)25-28(23(40(4,35)36)15-32-29(25)37-3)34(22)27(19-9-11-38-12-10-19)18-5-7-21(30)8-6-18/h5-8,13-15,19,27H,9-12H2,1-4H3/t27-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331225
PNG
(13-(Cyclopropylmethoxy)-10-methanesulfonyl-5-[4-(2...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(cnc(OCC3CC3)c21)S(C)(=O)=O
Show InChI InChI=1S/C31H34N6O4S/c1-19-28(36(2)35-34-19)23-15-24-27(32-16-23)26-30(25(42(3,38)39)17-33-31(26)41-18-20-9-10-20)37(24)29(21-7-5-4-6-8-21)22-11-13-40-14-12-22/h4-8,15-17,20,22,29H,9-14,18H2,1-3H3/t29-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331227
PNG
(2-({10-Methanesulfonyl-5-[4-(2H3)methyl-1-methyl-1...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(cnc(COCO)c21)S(C)(=O)=O
Show InChI InChI=1S/C29H32N6O5S/c1-18-27(34(2)33-32-18)21-13-23-26(31-14-21)25-22(16-40-17-36)30-15-24(41(3,37)38)29(25)35(23)28(19-7-5-4-6-8-19)20-9-11-39-12-10-20/h4-8,13-15,20,28,36H,9-12,16-17H2,1-3H3/t28-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331228
PNG
(13-Ethoxy-8-[(S)-(2-fluorophenyl)(oxan-4-yl)methyl...)
Show SMILES CCOc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3F)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O
Show InChI InChI=1S/C29H31FN6O4S/c1-5-40-29-24-25-22(14-19(15-31-25)26-17(2)33-34-35(26)3)36(28(24)23(16-32-29)41(4,37)38)27(18-10-12-39-13-11-18)20-8-6-7-9-21(20)30/h6-9,14-16,18,27H,5,10-13H2,1-4H3/t27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331295
PNG
(13-Ethoxy-5-[4-(2H3)methyl-1-methyl-1H-1,2,3-triaz...)
Show SMILES CCOc1nccc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C
Show InChI InChI=1S/C28H30N6O2/c1-4-36-28-24-22(10-13-29-28)34(27(19-8-6-5-7-9-19)20-11-14-35-15-12-20)23-16-21(17-30-25(23)24)26-18(2)31-32-33(26)3/h5-10,13,16-17,20,27H,4,11-12,14-15H2,1-3H3/t27-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331300
PNG
(5-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl]-8...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1ccnc(NCC(F)(F)F)c21
Show InChI InChI=1S/C28H28F3N7O/c1-17-25(37(2)36-35-17)20-14-22-24(33-15-20)23-21(8-11-32-27(23)34-16-28(29,30)31)38(22)26(18-6-4-3-5-7-18)19-9-12-39-13-10-19/h3-8,11,14-15,19,26H,9-10,12-13,16H2,1-2H3,(H,32,34)/t26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331344
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-11-(morpholin-4...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(ccc21)N1CCOCC1
Show InChI InChI=1S/C30H33N7O2/c1-20-28(35(2)34-33-20)23-18-25-27(31-19-23)24-8-9-26(36-12-16-39-17-13-36)32-30(24)37(25)29(21-6-4-3-5-7-21)22-10-14-38-15-11-22/h3-9,18-19,22,29H,10-17H2,1-2H3/t29-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331345
PNG
(1-[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-oxan-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(ccc21)N1CC(O)C1
Show InChI InChI=1S/C29H31N7O2/c1-18-27(34(2)33-32-18)21-14-24-26(30-15-21)23-8-9-25(35-16-22(37)17-35)31-29(23)36(24)28(19-6-4-3-5-7-19)20-10-12-38-13-11-20/h3-9,14-15,20,22,28,37H,10-13,16-17H2,1-2H3/t28-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331463
PNG
(13-Methoxy-5-[4-(2H3)methyl-1-methyl-1H-1,2,3-tria...)
Show SMILES COc1cncc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C
Show InChI InChI=1S/C27H28N6O2/c1-17-26(32(2)31-30-17)20-13-21-25(29-14-20)24-22(15-28-16-23(24)34-3)33(21)27(18-7-5-4-6-8-18)19-9-11-35-12-10-19/h4-8,13-16,19,27H,9-12H2,1-3H3/t27-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331533
PNG
(1-[11-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(R)-oxan...)
Show SMILES CC(=O)c1cnc2c(c1)n([C@H](C1CCOCC1)c1ccccc1)c1nc(ccc21)-c1c(C)nnn1C
Show InChI InChI=1S/C28H28N6O2/c1-17-26(33(3)32-31-17)23-10-9-22-25-24(15-21(16-29-25)18(2)35)34(28(22)30-23)27(19-7-5-4-6-8-19)20-11-13-36-14-12-20/h4-10,15-16,20,27H,11-14H2,1-3H3/t27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331196
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-(2-fluor...)
Show SMILES COc1nccc2n([C@@H](C3CCOCC3)c3ccccc3F)c3cc(cnc3c12)-c1c(C)nnn1C
Show InChI InChI=1S/C27H27FN6O2/c1-16-25(33(2)32-31-16)18-14-22-24(30-15-18)23-21(8-11-29-27(23)35-3)34(22)26(17-9-12-36-13-10-17)19-6-4-5-7-20(19)28/h4-8,11,14-15,17,26H,9-10,12-13H2,1-3H3/t26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331214
PNG
(5-(Dimethyl-1,2-oxazol-4-yl)-8-[(S)-(2-fluoropheny...)
Show SMILES COc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3F)c3cc(cnc3c12)-c1c(C)noc1C)S(C)(=O)=O
Show InChI InChI=1S/C29H29FN4O5S/c1-16-24(17(2)39-33-16)19-13-22-26(31-14-19)25-28(23(40(4,35)36)15-32-29(25)37-3)34(22)27(18-9-11-38-12-10-18)20-7-5-6-8-21(20)30/h5-8,13-15,18,27H,9-12H2,1-4H3/t27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331242
PNG
(13-(Cyclopropylmethoxy)-8-[(S)-(2-fluorophenyl)(ox...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1F)c1c(cnc(OCC3CC3)c21)S(C)(=O)=O
Show InChI InChI=1S/C31H33FN6O4S/c1-18-28(37(2)36-35-18)21-14-24-27(33-15-21)26-30(25(43(3,39)40)16-34-31(26)42-17-19-8-9-19)38(24)29(20-10-12-41-13-11-20)22-6-4-5-7-23(22)32/h4-7,14-16,19-20,29H,8-13,17H2,1-3H3/t29-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331243
PNG
(13-Ethoxy-8-[(S)-(4-fluorophenyl)(oxan-4-yl)methyl...)
Show SMILES CCOc1ncc(c2n([C@@H](C3CCOCC3)c3ccc(F)cc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O
Show InChI InChI=1S/C29H31FN6O4S/c1-5-40-29-24-25-22(14-20(15-31-25)26-17(2)33-34-35(26)3)36(28(24)23(16-32-29)41(4,37)38)27(19-10-12-39-13-11-19)18-6-8-21(30)9-7-18/h6-9,14-16,19,27H,5,10-13H2,1-4H3/t27-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331247
PNG
(8-[(S)-(4,4-Difluorocyclohexyl)(phenyl)methyl]-10-...)
Show SMILES COc1ncc(c2n([C@@H](C3CCC(F)(F)CC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O
Show InChI InChI=1S/C29H30F2N6O3S/c1-17-25(36(2)35-34-17)20-14-21-24(32-15-20)23-27(22(41(4,38)39)16-33-28(23)40-3)37(21)26(18-8-6-5-7-9-18)19-10-12-29(30,31)13-11-19/h5-9,14-16,19,26H,10-13H2,1-4H3/t26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331265
PNG
(N-[5-(Dimethyl-1,2-oxazol-4-yl)-10-methanesulfonyl...)
Show SMILES CCS(=O)(=O)Nc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)noc1C)S(C)(=O)=O
Show InChI InChI=1S/C30H33N5O6S2/c1-5-43(38,39)34-30-26-27-23(15-22(16-31-27)25-18(2)33-41-19(25)3)35(29(26)24(17-32-30)42(4,36)37)28(20-9-7-6-8-10-20)21-11-13-40-14-12-21/h6-10,15-17,21,28H,5,11-14H2,1-4H3,(H,32,34)/t28-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331316
PNG
(11-(1-Cyclopropyl-1H-pyrazol-4-yl)-5-(dimethyl-1H-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(ccc21)-c1cnn(c1)C1CC1
Show InChI InChI=1S/C32H32N8O/c1-20-30(38(2)37-36-20)23-16-28-29(33-17-23)26-10-11-27(24-18-34-39(19-24)25-8-9-25)35-32(26)40(28)31(21-6-4-3-5-7-21)22-12-14-41-15-13-22/h3-7,10-11,16-19,22,25,31H,8-9,12-15H2,1-2H3/t31-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 371 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%