BindingDB logo
myBDB logout

Patent code US10112941

Compile Data Set for Download or QSAR

Found 441 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-containing protein 4


(Homo sapiens (Human))
BDBM296979
PNG
(US10112941, Example 86)
Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](CCC(F)(F)F)c1ccccc1Cl)c1cc(ccc21)C(C)(C)O
Show InChI InChI=1S/C29H27ClF3N3O2/c1-16-26(17(2)38-35-16)18-13-25-27(34-15-18)21-10-9-19(28(3,4)37)14-24(21)36(25)23(11-12-29(31,32)33)20-7-5-6-8-22(20)30/h5-10,13-15,23,37H,11-12H2,1-4H3/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM296895
PNG
(2-[3-(Dimethyl-1,2-oxazol-4-yl)-5-[oxan-4-yl(pheny...)
Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O
Show InChI InChI=1S/C31H33N3O3/c1-19-28(20(2)37-33-19)23-16-27-29(32-18-23)25-11-10-24(31(3,4)35)17-26(25)34(27)30(21-8-6-5-7-9-21)22-12-14-36-15-13-22/h5-11,16-18,22,30,35H,12-15H2,1-4H3/t30-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM296898
PNG
(US10112941, Example 5)
Show SMILES COCC(c1ccccc1)n1c2cc(ccc2c2ncc(cc12)-c1c(C)[nH]oc1C)C(C)(C)O
Show InChI InChI=1S/C28H29N3O3/c1-17-26(18(2)34-30-17)20-13-24-27(29-15-20)22-12-11-21(28(3,4)32)14-23(22)31(24)25(16-33-5)19-9-7-6-8-10-19/h6-15,25,32H,16H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM296912
PNG
(US10112941, Example 19)
Show SMILES Cc1[nH]oc(C)c1-c1cnc2c(c1)n([C@H](CCC(F)(F)F)c1cscn1)c1cc(ccc21)C(C)(C)O
Show InChI InChI=1S/C26H25F3N4O2S/c1-14-23(15(2)35-32-14)16-9-22-24(30-11-16)18-6-5-17(25(3,4)34)10-21(18)33(22)20(7-8-26(27,28)29)19-12-36-13-31-19/h5-6,9-13,20,34H,7-8H2,1-4H3/t20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM296915
PNG
(US10112941, Example 22)
Show SMILES Cc1[nH]oc(C)c1-c1cnc2c(c1)n([C@H](C1CCOCC1)c1ccccn1)c1cc(ccc21)C(C)(C)O
Show InChI InChI=1S/C30H32N4O3/c1-18-27(19(2)37-33-18)21-15-26-28(32-17-21)23-9-8-22(30(3,4)35)16-25(23)34(26)29(20-10-13-36-14-11-20)24-7-5-6-12-31-24/h5-9,12,15-17,20,29,35H,10-11,13-14H2,1-4H3/t29-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM296916
PNG
(US10112941, Example 23)
Show SMILES Cc1[nH]oc(C)c1-c1cnc2c(c1)n([C@@H](CCC(F)(F)F)c1ccccn1)c1cc(ccc21)C(C)(C)O
Show InChI InChI=1S/C28H27F3N4O2/c1-16-25(17(2)37-34-16)18-13-24-26(33-15-18)20-9-8-19(27(3,4)36)14-23(20)35(24)22(10-11-28(29,30)31)21-7-5-6-12-32-21/h5-9,12-15,22,36H,10-11H2,1-4H3/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM296952
PNG
(US10112941, Example 59 | US10112941, Example 72)
Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccc(F)cc1)c1cc(ccc21)C(C)(C)O
Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-15-26-27(32-17-21)24-10-7-22(30(2,3)37)16-25(24)36(26)29(20-11-13-38-14-12-20)19-5-8-23(31)9-6-19/h5-10,15-17,20,29,37H,11-14H2,1-4H3/t29-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM296923
PNG
(2-[3-(Dimethyl-1,2-oxazol-4-yl)-5-[phenyl(1,3-thia...)
Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@H](c1cscn1)c1ccccc1)c1cc(ccc21)C(C)(C)O
Show InChI InChI=1S/C29H26N4O2S/c1-17-26(18(2)35-32-17)20-12-25-27(30-14-20)22-11-10-21(29(3,4)34)13-24(22)33(25)28(23-15-36-16-31-23)19-8-6-5-7-9-19/h5-16,28,34H,1-4H3/t28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM296930
PNG
(US10112941, Example 37)
Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@H](CCC(F)(F)F)c1cnoc1)c1cc(ccc21)C(C)(C)O
Show InChI InChI=1S/C26H25F3N4O3/c1-14-23(15(2)36-32-14)16-9-22-24(30-11-16)19-6-5-18(25(3,4)34)10-21(19)33(22)20(7-8-26(27,28)29)17-12-31-35-13-17/h5-6,9-13,20,34H,7-8H2,1-4H3/t20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM296937
PNG
(3-(Dimethyl-1,2-oxazol-4-yl)-5-[oxan-4-yl(phenyl)m...)
Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ccccc1)c1cc(ccc21)C(O)=O
Show InChI InChI=1S/C29H27N3O4/c1-17-26(18(2)36-31-17)22-15-25-27(30-16-22)23-9-8-21(29(33)34)14-24(23)32(25)28(19-6-4-3-5-7-19)20-10-12-35-13-11-20/h3-9,14-16,20,28H,10-13H2,1-2H3,(H,33,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM296949
PNG
(US10112941, Example 56 | US10112941, Example 74)
Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n(C(CCC(F)(F)F)CCC(F)(F)F)c1cc(ccc21)C(C)(C)O
Show InChI InChI=1S/C25H27F6N5O/c1-14-22(35(4)34-33-14)15-11-20-21(32-13-15)18-6-5-16(23(2,3)37)12-19(18)36(20)17(7-9-24(26,27)28)8-10-25(29,30)31/h5-6,11-13,17,37H,7-10H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297000
PNG
(2-{5-[(2,5-Difluorophenyl)(oxan-4-yl)methyl]-3-(di...)
Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1cc(F)ccc1F)c1cc(cc(F)c21)C(C)(C)O
Show InChI InChI=1S/C30H30F3N5O2/c1-16-28(37(4)36-35-16)18-11-25-27(34-15-18)26-23(33)12-19(30(2,3)39)13-24(26)38(25)29(17-7-9-40-10-8-17)21-14-20(31)5-6-22(21)32/h5-6,11-15,17,29,39H,7-10H2,1-4H3/t29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297004
PNG
(2-{5-[(2,4-Difluorophenyl)(oxan-4-yl)methyl]-3-(di...)
Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccc(F)cc1F)c1cc(cc(F)c21)C(C)(C)O
Show InChI InChI=1S/C30H30F3N5O2/c1-16-28(37(4)36-35-16)18-11-25-27(34-15-18)26-23(33)12-19(30(2,3)39)13-24(26)38(25)29(17-7-9-40-10-8-17)21-6-5-20(31)14-22(21)32/h5-6,11-15,17,29,39H,7-10H2,1-4H3/t29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297007
PNG
(2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-9-fluoro-5-[...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1F)c1cc(cc(F)c21)C(C)(C)O
Show InChI InChI=1S/C30H31F2N5O2/c1-17-28(36(4)35-34-17)19-13-25-27(33-16-19)26-23(32)14-20(30(2,3)38)15-24(26)37(25)29(18-9-11-39-12-10-18)21-7-5-6-8-22(21)31/h5-8,13-16,18,29,38H,9-12H2,1-4H3/t29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297011
PNG
(5-{9-Methanesulfonyl-5-[oxan-4-yl(2,4,6-trifluorop...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1c(F)cc(F)cc1F)c1cccc(c21)S(C)(=O)=O
Show InChI InChI=1S/C28H26F3N5O3S/c1-15-27(35(2)34-33-15)17-11-22-26(32-14-17)25-21(5-4-6-23(25)40(3,37)38)36(22)28(16-7-9-39-10-8-16)24-19(30)12-18(29)13-20(24)31/h4-6,11-14,16,28H,7-10H2,1-3H3/t28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297012
PNG
(2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(2-fluoro...)
Show SMILES COc1ccc([C@@H](C2CCOCC2)n2c3cc(ccc3c3ncc(cc23)-c2c(C)nnn2C)C(C)(C)O)c(F)c1
Show InChI InChI=1S/C31H34FN5O3/c1-18-29(36(4)35-34-18)20-14-27-28(33-17-20)24-8-6-21(31(2,3)38)15-26(24)37(27)30(19-10-12-40-13-11-19)23-9-7-22(39-5)16-25(23)32/h6-9,14-17,19,30,38H,10-13H2,1-5H3/t30-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297016
PNG
(2-{5-[(2,5-Difluoro-4-methoxyphenyl)(oxan-4-yl)met...)
Show SMILES COc1cc(F)c(cc1F)[C@@H](C1CCOCC1)n1c2cc(ccc2c2ncc(cc12)-c1c(C)nnn1C)C(C)(C)O
Show InChI InChI=1S/C31H33F2N5O3/c1-17-29(37(4)36-35-17)19-12-26-28(34-16-19)21-7-6-20(31(2,3)39)13-25(21)38(26)30(18-8-10-41-11-9-18)22-14-24(33)27(40-5)15-23(22)32/h6-7,12-16,18,30,39H,8-11H2,1-5H3/t30-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297017
PNG
(2-{5-[(2,5-Difluoro-4-methoxyphenyl)(oxan-4-yl)met...)
Show SMILES COc1cc(F)c(cc1F)[C@H](C1CCOCC1)n1c2cc(ccc2c2ncc(cc12)-c1c(C)nnn1C)C(C)(C)O
Show InChI InChI=1S/C31H33F2N5O3/c1-17-29(37(4)36-35-17)19-12-26-28(34-16-19)21-7-6-20(31(2,3)39)13-25(21)38(26)30(18-8-10-41-11-9-18)22-14-24(33)27(40-5)15-23(22)32/h6-7,12-16,18,30,39H,8-11H2,1-5H3/t30-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297064
PNG
(4-{7-Methanesulfonyl-5-[(S)-oxan-4-yl(phenyl)methy...)
Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)S(C)(=O)=O
Show InChI InChI=1S/C29H29N3O4S/c1-18-27(19(2)36-31-18)22-15-26-28(30-17-22)24-10-9-23(37(3,33)34)16-25(24)32(26)29(20-7-5-4-6-8-20)21-11-13-35-14-12-21/h4-10,15-17,21,29H,11-14H2,1-3H3/t29-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM296886
PNG
(2-[3-(Dimethyl-1,2-oxazol-4-yl)-5-[oxan-4-yl(pheny...)
Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O
Show InChI InChI=1S/C31H33N3O3/c1-19-28(20(2)37-33-19)23-16-27-29(32-18-23)25-11-10-24(31(3,4)35)17-26(25)34(27)30(21-8-6-5-7-9-21)22-12-14-36-15-13-22/h5-11,16-18,22,30,35H,12-15H2,1-4H3/t30-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297090
PNG
(5-{7-Methanesulfonyl-9-methoxy-5-[(S)-oxan-4-yl(ph...)
Show SMILES COc1cc(cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O
Show InChI InChI=1S/C29H31N5O4S/c1-18-28(33(2)32-31-18)21-14-24-27(30-17-21)26-23(15-22(39(4,35)36)16-25(26)37-3)34(24)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29H,10-13H2,1-4H3/t29-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297102
PNG
(5-{5-[(S)-(4,4-Difluorocyclohexyl)(phenyl)methyl]-...)
Show SMILES CCOc1cc(cc2n(C(C3CCC(F)(F)CC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)n[nH]n1C)S(C)(=O)=O
Show InChI InChI=1S/C31H33F2N5O3S/c1-5-41-26-17-23(42(4,39)40)16-24-27(26)28-25(15-22(18-34-28)29-19(2)35-36-37(29)3)38(24)30(20-9-7-6-8-10-20)21-11-13-31(32,33)14-12-21/h6-10,15-18,21,30H,5,11-14H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297110
PNG
(US10112941, Example 218)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(ccc(NS(=O)(=O)C3CC3)c21)S(C)(=O)=O
Show InChI InChI=1S/C31H34N6O5S2/c1-19-29(36(2)35-33-19)22-17-25-28(32-18-22)27-24(34-44(40,41)23-9-10-23)11-12-26(43(3,38)39)31(27)37(25)30(20-7-5-4-6-8-20)21-13-15-42-16-14-21/h4-8,11-12,17-18,21,23,30,34H,9-10,13-16H2,1-3H3/t30-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297119
PNG
(5-[9-(2,2-Difluoroethoxy)-6-methanesulfonyl-5-[(S)...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(ccc(OCC(F)F)c21)S(C)(=O)=O
Show InChI InChI=1S/C30H31F2N5O4S/c1-18-28(36(2)35-34-18)21-15-22-27(33-16-21)26-23(41-17-25(31)32)9-10-24(42(3,38)39)30(26)37(22)29(19-7-5-4-6-8-19)20-11-13-40-14-12-20/h4-10,15-16,20,25,29H,11-14,17H2,1-3H3/t29-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297128
PNG
(3-[3-(Dimethyl-1,2-oxazol-4-yl)-5-[(S)-oxan-4-yl(p...)
Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C1(O)COC1
Show InChI InChI=1S/C31H31N3O4/c1-19-28(20(2)38-33-19)23-14-27-29(32-16-23)25-9-8-24(31(35)17-37-18-31)15-26(25)34(27)30(21-6-4-3-5-7-21)22-10-12-36-13-11-22/h3-9,14-16,22,30,35H,10-13,17-18H2,1-2H3/t30-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297140
PNG
(1-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(4-fl...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccc(F)cc1)c1cc(CC(C)(C)O)ccc21
Show InChI InChI=1S/C31H34FN5O2/c1-19-29(36(4)35-34-19)23-16-27-28(33-18-23)25-10-5-20(17-31(2,3)38)15-26(25)37(27)30(22-11-13-39-14-12-22)21-6-8-24(32)9-7-21/h5-10,15-16,18,22,30,38H,11-14,17H2,1-4H3/t30-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297141
PNG
(5-{5-[(S)-(4-Fluorophenyl)(oxan-4-yl)methyl]-9-met...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccc(F)cc1)c1cccc(c21)S(C)(=O)=O
Show InChI InChI=1S/C28H28FN5O3S/c1-17-27(33(2)32-31-17)20-15-23-26(30-16-20)25-22(5-4-6-24(25)38(3,35)36)34(23)28(19-11-13-37-14-12-19)18-7-9-21(29)10-8-18/h4-10,15-16,19,28H,11-14H2,1-3H3/t28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297148
PNG
(US10112941, Example 264)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1F)c1cc(ccc21)S(C)(=O)=O
Show InChI InChI=1S/C28H28FN5O3S/c1-17-27(33(2)32-31-17)19-14-25-26(30-16-19)22-9-8-20(38(3,35)36)15-24(22)34(25)28(18-10-12-37-13-11-18)21-6-4-5-7-23(21)29/h4-9,14-16,18,28H,10-13H2,1-3H3/t28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297177
PNG
(US10112941, Example 293 | US10112941, Example 294)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ncccc1F)c1cc(ccc21)C(C)(C)O
Show InChI InChI=1S/C29H31FN6O2/c1-17-27(35(4)34-33-17)19-14-24-25(32-16-19)21-8-7-20(29(2,3)37)15-23(21)36(24)28(18-9-12-38-13-10-18)26-22(30)6-5-11-31-26/h5-8,11,14-16,18,28,37H,9-10,12-13H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297204
PNG
(US10112941, Example 320)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ccc(Cl)cn1)c1cc(ccc21)C(C)(C)O
Show InChI InChI=1S/C29H31ClN6O2/c1-17-27(35(4)34-33-17)19-13-25-26(32-15-19)22-7-5-20(29(2,3)37)14-24(22)36(25)28(18-9-11-38-12-10-18)23-8-6-21(30)16-31-23/h5-8,13-16,18,28,37H,9-12H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297205
PNG
(US10112941, Example 321 | US10112941, Example 322)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ncccc1Cl)c1cc(ccc21)C(C)(C)O
Show InChI InChI=1S/C29H31ClN6O2/c1-17-27(35(4)34-33-17)19-14-24-25(32-16-19)21-8-7-20(29(2,3)37)15-23(21)36(24)28(18-9-12-38-13-10-18)26-22(30)6-5-11-31-26/h5-8,11,14-16,18,28,37H,9-10,12-13H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297216
PNG
(US10112941, Example 332)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ncccc1F)c1cc(CS(C)(=O)=O)ccc21
Show InChI InChI=1S/C28H29FN6O3S/c1-17-27(34(2)33-32-17)20-14-24-25(31-15-20)21-7-6-18(16-39(3,36)37)13-23(21)35(24)28(19-8-11-38-12-9-19)26-22(29)5-4-10-30-26/h4-7,10,13-15,19,28H,8-9,11-12,16H2,1-3H3/t28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297220
PNG
(US10112941, Example 336)
Show SMILES COc1ccnc(c1)[C@H](C1CCOCC1)n1c2cc(CS(C)(=O)=O)ccc2c2ncc(cc12)-c1c(C)nnn1C
Show InChI InChI=1S/C29H32N6O4S/c1-18-28(34(2)33-32-18)21-14-26-27(31-16-21)23-6-5-19(17-40(4,36)37)13-25(23)35(26)29(20-8-11-39-12-9-20)24-15-22(38-3)7-10-30-24/h5-7,10,13-16,20,29H,8-9,11-12,17H2,1-4H3/t29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297239
PNG
(2-[3-(Dimethyl-4H-1,2,4-triazol-4-yl)-5-[(R)-oxan-...)
Show SMILES Cc1nnc(C)n1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O
Show InChI InChI=1S/C30H33N5O2/c1-19-32-33-20(2)34(19)24-17-27-28(31-18-24)25-11-10-23(30(3,4)36)16-26(25)35(27)29(21-8-6-5-7-9-21)22-12-14-37-15-13-22/h5-11,16-18,22,29,36H,12-15H2,1-4H3/t29-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297242
PNG
(Ethyl N-[3-(dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)...)
Show SMILES CCOC(=O)Nc1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C30H32N6O3/c1-4-39-30(37)32-23-10-11-24-25(17-23)36(29(20-8-6-5-7-9-20)21-12-14-38-15-13-21)26-16-22(18-31-27(24)26)28-19(2)33-34-35(28)3/h5-11,16-18,21,29H,4,12-15H2,1-3H3,(H,32,37)/t29-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297245
PNG
(2-[3-(Dimethyl-1,2-oxazol-4-yl)-9-fluoro-5-[(S)-ox...)
Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cc(F)c21)C(C)(C)O
Show InChI InChI=1S/C31H32FN3O3/c1-18-27(19(2)38-34-18)22-14-26-29(33-17-22)28-24(32)15-23(31(3,4)36)16-25(28)35(26)30(20-8-6-5-7-9-20)21-10-12-37-13-11-21/h5-9,14-17,21,30,36H,10-13H2,1-4H3/t30-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297246
PNG
(US10112941, Example 371 | US10112941, Example 372 ...)
Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)S(C)(=N)=O
Show InChI InChI=1S/C28H30N6O2S/c1-18-27(33(2)32-31-18)21-15-25-26(30-17-21)23-10-9-22(37(3,29)35)16-24(23)34(25)28(19-7-5-4-6-8-19)20-11-13-36-14-12-20/h4-10,15-17,20,28-29H,11-14H2,1-3H3/t28-,37?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297257
PNG
(2-[3-(4-Ethoxy-1-methyl-1H-1,2,3-triazol-5-yl)-5-[...)
Show SMILES CCOc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O
Show InChI InChI=1S/C31H35N5O3/c1-5-39-30-29(35(4)34-33-30)22-17-26-27(32-19-22)24-12-11-23(31(2,3)37)18-25(24)36(26)28(20-9-7-6-8-10-20)21-13-15-38-16-14-21/h6-12,17-19,21,28,37H,5,13-16H2,1-4H3/t28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297261
PNG
(2-[8-Chloro-3-(4-chloro-1-methyl-1H-1,2,3-triazol-...)
Show SMILES Cn1nnc(Cl)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(Cl)cc21)C(C)(C)O
Show InChI InChI=1S/C29H29Cl2N5O2/c1-29(2,37)21-15-23-20(14-22(21)30)25-24(13-19(16-32-25)27-28(31)33-34-35(27)3)36(23)26(17-7-5-4-6-8-17)18-9-11-38-12-10-18/h4-8,13-16,18,26,37H,9-12H2,1-3H3/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297266
PNG
(5-{7-Methanesulfonyl-5-[(S)-oxan-4-yl(phenyl)methy...)
Show SMILES COc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)S(C)(=O)=O
Show InChI InChI=1S/C28H29N5O4S/c1-32-27(28(36-2)30-31-32)20-15-24-25(29-17-20)22-10-9-21(38(3,34)35)16-23(22)33(24)26(18-7-5-4-6-8-18)19-11-13-37-14-12-19/h4-10,15-17,19,26H,11-14H2,1-3H3/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297271
PNG
(2-[3-(Dimethyl-H-1,2,3-triazol-5-yl)-5-[(1S)-2-met...)
Show SMILES COCC(C1CCOCC1)n1c2cc(ccc2c2ncc(cc12)-c1c(C)[nH]nn1C)C(C)(C)O
Show InChI InChI=1S/C26H33N5O3/c1-16-25(30(4)29-28-16)18-12-22-24(27-14-18)20-7-6-19(26(2,3)32)13-21(20)31(22)23(15-33-5)17-8-10-34-11-9-17/h6-7,12-14,17,23,32H,8-11,15H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297273
PNG
(2-{5-[(S)-(4-Chlorophenyl)(oxan-4-yl)methyl]-3-(di...)
Show SMILES Cc1[nH]nn(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ccc(Cl)cc1)c1cc(ccc21)C(C)(C)O
Show InChI InChI=1S/C30H32ClN5O2/c1-18-28(35(4)34-33-18)21-15-26-27(32-17-21)24-10-7-22(30(2,3)37)16-25(24)36(26)29(20-11-13-38-14-12-20)19-5-8-23(31)9-6-19/h5-10,15-17,20,29,37H,11-14H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297275
PNG
(2-{5-[(S)-(3-Chlorophenyl)(oxan-4-yl)methyl]-3-(di...)
Show SMILES Cc1[nH]nn(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1cccc(Cl)c1)c1cc(ccc21)C(C)(C)O
Show InChI InChI=1S/C30H32ClN5O2/c1-18-28(35(4)34-33-18)21-15-26-27(32-17-21)24-9-8-22(30(2,3)37)16-25(24)36(26)29(19-10-12-38-13-11-19)20-6-5-7-23(31)14-20/h5-9,14-17,19,29,37H,10-13H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297285
PNG
(Methyl N-{2-[3-(dimethyl-1H-1,2,3-triazol-5-yl)-5-...)
Show SMILES COC(=O)NC(C)(C)c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C32H36N6O3/c1-20-29(37(4)36-35-20)23-17-27-28(33-19-23)25-12-11-24(32(2,3)34-31(39)40-5)18-26(25)38(27)30(21-9-7-6-8-10-21)22-13-15-41-16-14-22/h6-12,17-19,22,30H,13-16H2,1-5H3,(H,34,39)/t30-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297288
PNG
(1-Cyclopropyl-1-{6-fluoro-3-[4-(2H3)methyl-1-methy...)
Show SMILES Cc1[nH]nn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(O)C1CC1
Show InChI InChI=1S/C32H35N5O2/c1-20-30(36(3)35-34-20)23-17-28-29(33-19-23)26-12-11-25(32(2,38)24-9-10-24)18-27(26)37(28)31(21-7-5-4-6-8-21)22-13-15-39-16-14-22/h4-8,11-12,17-19,22,24,31,38H,9-10,13-16H2,1-3H3/t31-,32?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297300
PNG
(1-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-oxan-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1ccc(cc21)C(=O)N1CC(O)C1
Show InChI InChI=1S/C31H32N6O3/c1-19-29(35(2)34-33-19)23-15-27-28(32-16-23)25-14-22(31(39)36-17-24(38)18-36)8-9-26(25)37(27)30(20-6-4-3-5-7-20)21-10-12-40-13-11-21/h3-9,14-16,21,24,30,38H,10-13,17-18H2,1-2H3/t30-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297318
PNG
(1-Cyclopropyl-1-[3-(dimethyl-1H-1,2,3-triazol-5-yl...)
Show SMILES Cc1[nH]nn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1F)c1cc(c(F)cc21)C(C)(O)C1CC1
Show InChI InChI=1S/C32H33F2N5O2/c1-18-30(38(3)37-36-18)20-14-28-29(35-17-20)23-15-26(34)24(32(2,40)21-8-9-21)16-27(23)39(28)31(19-10-12-41-13-11-19)22-6-4-5-7-25(22)33/h4-7,14-17,19,21,31,40H,8-13H2,1-3H3/t31-,32?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297323
PNG
(2-{6,8-Difluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(c(F)cc21)C(C)(C)O
Show InChI InChI=1S/C30H31F2N5O2/c1-17-27(36(4)35-34-17)20-14-23-26(33-16-20)21-15-22(31)24(30(2,3)38)25(32)29(21)37(23)28(18-8-6-5-7-9-18)19-10-12-39-13-11-19/h5-9,14-16,19,28,38H,10-13H2,1-4H3/t28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297331
PNG
(3-(Dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ccc21)C(N)=O
Show InChI InChI=1S/C28H27FN6O2/c1-16-25(34(2)33-32-16)19-14-22-24(31-15-19)21-9-8-20(28(30)36)23(29)27(21)35(22)26(17-6-4-3-5-7-17)18-10-12-37-13-11-18/h3-9,14-15,18,26H,10-13H2,1-2H3,(H2,30,36)/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM297332
PNG
(2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ccc21)C(C)(C)N
Show InChI InChI=1S/C30H33FN6O/c1-18-27(36(4)35-34-18)21-16-24-26(33-17-21)22-10-11-23(30(2,3)32)25(31)29(22)37(24)28(19-8-6-5-7-9-19)20-12-14-38-15-13-20/h5-11,16-17,20,28H,12-15,32H2,1-4H3/t28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10112941 (2018)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 441 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%