BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 229 hits Enz. Inhib. hit(s) with Target = 'Bromodomain protein 4 (BRD4-BD1)'   
Target
(Institution)
LigandTarget
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 protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM205431
PNG
((6S+2S)-PEG1 (7))
Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1/C43H42Cl2N10O5S2/c1-21-23(3)61-42-34(21)36(26-7-11-28(44)12-8-26)48-30(39-52-50-24(4)54(39)42)19-32(56)46-15-17-60-18-16-47-41(58)38-22(2)35-37(27-9-13-29(45)14-10-27)49-31(20-33(57)59-6)40-53-51-25(5)55(40)43(35)62-38/h7-14,30-31H,15-20H2,1-6H3,(H,46,56)(H,47,58)/t30-,31-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 0.758n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...


Nat Chem Biol 12: 1089-1096 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM205435
PNG
((6S+2S)-PEG7 (11))
Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1/C55H66Cl2N10O11S2/c1-33-35(3)79-54-46(33)48(38-7-11-40(56)12-8-38)60-42(51-64-62-36(4)66(51)54)31-44(68)58-15-17-72-19-21-74-23-25-76-27-29-78-30-28-77-26-24-75-22-20-73-18-16-59-53(70)50-34(2)47-49(39-9-13-41(57)14-10-39)61-43(32-45(69)71-6)52-65-63-37(5)67(52)55(47)80-50/h7-14,42-43H,15-32H2,1-6H3,(H,58,68)(H,59,70)/t42-,43-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 0.789n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...


Nat Chem Biol 12: 1089-1096 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM205456
PNG
((2S+2S)-PEG1 (5))
Show SMILES COC(=O)C[C@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCNC(=O)c1sc-2c(c1C)C(=N[C@@H](CC(=O)OC)c1nnc(C)n-21)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1/C44H42Cl2N10O7S2/c1-21-33-35(25-7-11-27(45)12-8-25)49-29(19-31(57)61-5)39-53-51-23(3)55(39)43(33)64-37(21)41(59)47-15-17-63-18-16-48-42(60)38-22(2)34-36(26-9-13-28(46)14-10-26)50-30(20-32(58)62-6)40-54-52-24(4)56(40)44(34)65-38/h7-14,29-30H,15-20H2,1-6H3,(H,47,59)(H,48,60)/t29-,30+
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.17n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...


Nat Chem Biol 12: 1089-1096 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM205432
PNG
((6S+2S)-PEG2 (8))
Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1/C45H46Cl2N10O6S2/c1-23-25(3)64-44-36(23)38(28-7-11-30(46)12-8-28)50-32(41-54-52-26(4)56(41)44)21-34(58)48-15-17-62-19-20-63-18-16-49-43(60)40-24(2)37-39(29-9-13-31(47)14-10-29)51-33(22-35(59)61-6)42-55-53-27(5)57(42)45(37)65-40/h7-14,32-33H,15-22H2,1-6H3,(H,48,58)(H,49,60)/t32-,33-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.28n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...


Nat Chem Biol 12: 1089-1096 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM205433
PNG
((6S+2S)-PEG3 (9))
Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCOCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1/C47H50Cl2N10O7S2/c1-25-27(3)67-46-38(25)40(30-7-11-32(48)12-8-30)52-34(43-56-54-28(4)58(43)46)23-36(60)50-15-17-64-19-21-66-22-20-65-18-16-51-45(62)42-26(2)39-41(31-9-13-33(49)14-10-31)53-35(24-37(61)63-6)44-57-55-29(5)59(44)47(39)68-42/h7-14,34-35H,15-24H2,1-6H3,(H,50,60)(H,51,62)/t34-,35-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 2.25n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...


Nat Chem Biol 12: 1089-1096 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM205434
PNG
((6S+2S)-PEG4 (10))
Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCOCCOCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1/C49H54Cl2N10O8S2/c1-27-29(3)70-48-40(27)42(32-7-11-34(50)12-8-32)54-36(45-58-56-30(4)60(45)48)25-38(62)52-15-17-66-19-21-68-23-24-69-22-20-67-18-16-53-47(64)44-28(2)41-43(33-9-13-35(51)14-10-33)55-37(26-39(63)65-6)46-59-57-31(5)61(46)49(41)71-44/h7-14,36-37H,15-26H2,1-6H3,(H,52,62)(H,53,64)/t36-,37-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 2.95n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...


Nat Chem Biol 12: 1089-1096 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM242696
PNG
(US9422290, II-3)
Show SMILES CN1CCC(CC1)Nc1cc(nn2c(C)nnc12)-c1[nH]c2ccccc2c1Cc1ccccc1
Show InChI InChI=1S/C27H29N7/c1-18-30-31-27-25(28-20-12-14-33(2)15-13-20)17-24(32-34(18)27)26-22(16-19-8-4-3-5-9-19)21-10-6-7-11-23(21)29-26/h3-11,17,20,28-29H,12-16H2,1-2H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9422290 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM242713
PNG
(US9422290, III-2)
Show SMILES CCN1CCC(CC1)Nc1cc(nn2c(C)nnc12)N(C)Cc1ccccc1
Show InChI InChI=1S/C21H29N7/c1-4-27-12-10-18(11-13-27)22-19-14-20(25-28-16(2)23-24-21(19)28)26(3)15-17-8-6-5-7-9-17/h5-9,14,18,22H,4,10-13,15H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9422290 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM242714
PNG
(US9422290, III-3)
Show SMILES COCCN1CCC(CC1)Nc1cc(nn2c(C)nnc12)N(C)Cc1ccccc1
Show InChI InChI=1S/C22H31N7O/c1-17-24-25-22-20(23-19-9-11-28(12-10-19)13-14-30-3)15-21(26-29(17)22)27(2)16-18-7-5-4-6-8-18/h4-8,15,19,23H,9-14,16H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9422290 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM242702
PNG
(US9422290, II-9)
Show SMILES CN1CCC(CC1)Nc1cc(nn2c(C)nnc12)-c1cn(C)nc1Cc1ccccc1
Show InChI InChI=1S/C23H28N8/c1-16-25-26-23-22(24-18-9-11-29(2)12-10-18)14-21(28-31(16)23)19-15-30(3)27-20(19)13-17-7-5-4-6-8-17/h4-8,14-15,18,24H,9-13H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9422290 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM242688
PNG
(US9422290, I-1)
Show SMILES CN(Cc1ccccc1)c1cc(NC2CCN(C)CC2)c2nnc(C)n2n1
Show InChI InChI=1S/C20H27N7/c1-15-22-23-20-18(21-17-9-11-25(2)12-10-17)13-19(24-27(15)20)26(3)14-16-7-5-4-6-8-16/h4-8,13,17,21H,9-12,14H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9422290 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM205430
PNG
((6S+2S)-PEG0 (6))
Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1/C41H38Cl2N10O4S2/c1-19-21(3)58-40-32(19)34(24-7-11-26(42)12-8-24)46-28(37-50-48-22(4)52(37)40)17-30(54)44-15-16-45-39(56)36-20(2)33-35(25-9-13-27(43)14-10-25)47-29(18-31(55)57-6)38-51-49-23(5)53(38)41(33)59-36/h7-14,28-29H,15-18H2,1-6H3,(H,44,54)(H,45,56)/t28-,29-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 3.58n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...


Nat Chem Biol 12: 1089-1096 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM242701
PNG
(US9422290, II-8)
Show SMILES COCCN1CCC(CC1)Nc1cc(nn2c(C)nnc12)-c1cn(C)nc1Cc1ccccc1
Show InChI InChI=1S/C25H32N8O/c1-18-27-28-25-24(26-20-9-11-32(12-10-20)13-14-34-3)16-23(30-33(18)25)21-17-31(2)29-22(21)15-19-7-5-4-6-8-19/h4-8,16-17,20,26H,9-15H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9422290 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM205454
PNG
(2S+IBET-PEG2 (25))
Show SMILES COC(=O)CC1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCOCCNC(=O)Cn1c2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n([C@H](C)c2ccccn2)c1=O)c1ccc(Cl)cc1
Show InChI InChI=1/C51H52ClN11O9S/c1-27-43-45(32-11-13-33(52)14-12-32)57-38(24-42(65)69-7)48-59-58-31(5)63(48)50(43)73-47(27)49(66)55-17-19-71-21-20-70-18-16-54-41(64)26-61-39-25-56-37-22-35(44-28(2)60-72-30(44)4)40(68-6)23-34(37)46(39)62(51(61)67)29(3)36-10-8-9-15-53-36/h8-15,22-23,25,29,38H,16-21,24,26H2,1-7H3,(H,54,64)(H,55,66)/t29-,38?/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 5.80n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...


Nat Chem Biol 12: 1089-1096 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM242700
PNG
(US9422290, II-7)
Show SMILES CN1CCC(CC1)Nc1cc(nn2c(C)nnc12)-c1cnn(C)c1Oc1ccccc1
Show InChI InChI=1S/C22H26N8O/c1-15-25-26-21-20(24-16-9-11-28(2)12-10-16)13-19(27-30(15)21)18-14-23-29(3)22(18)31-17-7-5-4-6-8-17/h4-8,13-14,16,24H,9-12H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9422290 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM242699
PNG
(US9422290, II-6)
Show SMILES COCCN1CCC(CC1)Nc1cc(nn2c(C)nnc12)-c1cnn(C)c1Oc1ccccc1
Show InChI InChI=1S/C24H30N8O2/c1-17-27-28-23-22(26-18-9-11-31(12-10-18)13-14-33-3)15-21(29-32(17)23)20-16-25-30(2)24(20)34-19-7-5-4-6-8-19/h4-8,15-16,18,26H,9-14H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9422290 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM215738
PNG
(US9296748, II-25)
Show SMILES C[C@@H](c1ccccc1)n1c(nc2cnc(cc12)C1CCOCC1)-c1cc(C)c(=O)n(C)n1
Show InChI InChI=1/C25H27N5O2/c1-16-13-21(28-29(3)25(16)31)24-27-22-15-26-20(19-9-11-32-12-10-19)14-23(22)30(24)17(2)18-7-5-4-6-8-18/h4-8,13-15,17,19H,9-12H2,1-3H3/t17-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9296748 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM50157531
PNG
(CHEMBL3785917 | US9428513, I-25)
Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1C(C)CC1CC1)N1CCOC[C@@H]1C
Show InChI InChI=1/C26H35N9O/c1-15(2)28-24-26-32-31-18(5)34(26)13-21(29-24)25-30-20-12-27-23(33-8-9-36-14-17(33)4)11-22(20)35(25)16(3)10-19-6-7-19/h11-13,15-17,19H,6-10,14H2,1-5H3,(H,28,29)/t16?,17-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (PerkinE...


US Patent US9428513 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM242694
PNG
(US9422290, II-1)
Show SMILES CN1CCC(CC1)Nc1cc(nn2c(C)nnc12)-c1cnn(C)c1Cc1ccccc1
Show InChI InChI=1S/C23H28N8/c1-16-26-27-23-21(25-18-9-11-29(2)12-10-18)14-20(28-31(16)23)19-15-24-30(3)22(19)13-17-7-5-4-6-8-17/h4-8,14-15,18,25H,9-13H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9422290 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM205447
PNG
(2S+IBET-PEG4 (27))
Show SMILES COC(=O)CC1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCOCCOCCOCCNC(=O)Cn1c2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n([C@H](C)c2ccccn2)c1=O)c1ccc(Cl)cc1
Show InChI InChI=1/C55H60ClN11O11S/c1-31-47-49(36-11-13-37(56)14-12-36)61-42(28-46(69)73-7)52-63-62-35(5)67(52)54(47)79-51(31)53(70)59-17-19-75-21-23-77-25-24-76-22-20-74-18-16-58-45(68)30-65-43-29-60-41-26-39(48-32(2)64-78-34(48)4)44(72-6)27-38(41)50(43)66(55(65)71)33(3)40-10-8-9-15-57-40/h8-15,26-27,29,33,42H,16-25,28,30H2,1-7H3,(H,58,68)(H,59,70)/t33-,42?/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 10.3n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...


Nat Chem Biol 12: 1089-1096 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM205446
PNG
(2S+IBET-PEG3 (26))
Show SMILES COC(=O)CC1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCOCCOCCNC(=O)Cn1c2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n([C@H](C)c2ccccn2)c1=O)c1ccc(Cl)cc1
Show InChI InChI=1/C53H56ClN11O10S/c1-29-45-47(34-11-13-35(54)14-12-34)59-40(26-44(67)71-7)50-61-60-33(5)65(50)52(45)76-49(29)51(68)57-17-19-73-21-23-74-22-20-72-18-16-56-43(66)28-63-41-27-58-39-24-37(46-30(2)62-75-32(46)4)42(70-6)25-36(39)48(41)64(53(63)69)31(3)38-10-8-9-15-55-38/h8-15,24-25,27,31,40H,16-23,26,28H2,1-7H3,(H,56,66)(H,57,68)/t31-,40?/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 11.3n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...


Nat Chem Biol 12: 1089-1096 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM205441
PNG
(6S+IBET-PEG7 (22))
Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)c3cnc2cc1-c1c(C)noc1C
Show InChI InChI=1/C60H72ClN11O12S/c1-37-41(5)85-59-54(37)56(43-11-13-44(61)14-12-43)66-49(58-68-67-42(6)72(58)59)34-52(73)63-16-18-77-20-22-79-24-26-81-28-30-83-31-29-82-27-25-80-23-21-78-19-17-64-53(74)36-70-50-35-65-48-32-46(55-38(2)69-84-40(55)4)51(76-7)33-45(48)57(50)71(60(70)75)39(3)47-10-8-9-15-62-47/h8-15,32-33,35,39,49H,16-31,34,36H2,1-7H3,(H,63,73)(H,64,74)/t39-,49+/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 11.5n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...


Nat Chem Biol 12: 1089-1096 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM215779
PNG
(US9296748, IV-11)
Show SMILES C[C@@H](c1ccccc1)n1c(nc2cnc(nc12)N1CCOC[C@@H]1C)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C25H28N6O2/c1-16-12-20(14-29(4)24(16)32)22-27-21-13-26-25(30-10-11-33-15-17(30)2)28-23(21)31(22)18(3)19-8-6-5-7-9-19/h5-9,12-14,17-18H,10-11,15H2,1-4H3/t17-,18-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 12n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9296748 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM215718
PNG
(US9296748, II-5)
Show SMILES CN1CCN(CC1)c1cc2n(Cc3ccccc3)c(nc2cn1)-c1cc(C)c(=O)n(C)n1
Show InChI InChI=1S/C24H27N7O/c1-17-13-19(27-29(3)24(17)32)23-26-20-15-25-22(30-11-9-28(2)10-12-30)14-21(20)31(23)16-18-7-5-4-6-8-18/h4-8,13-15H,9-12,16H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 12n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9296748 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM215675
PNG
(US9296748, I-11)
Show SMILES CN1CCN(CC1)c1ccc2nc(-c3cc(C)c(=O)n(C)n3)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C25H28N6O/c1-18-15-22(27-29(3)25(18)32)24-26-21-10-9-20(30-13-11-28(2)12-14-30)16-23(21)31(24)17-19-7-5-4-6-8-19/h4-10,15-16H,11-14,17H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 12n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9296748 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM215665
PNG
(US9296748, I-1)
Show SMILES CN1CCN(CC1)c1ccc2nc(-c3cc(C)c(=O)n(C)c3)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C26H29N5O/c1-19-15-21(18-29(3)26(19)32)25-27-23-10-9-22(30-13-11-28(2)12-14-30)16-24(23)31(25)17-20-7-5-4-6-8-20/h4-10,15-16,18H,11-14,17H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 12n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9296748 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM215775
PNG
(US9296748, IV-7)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cc(cnc2n1Cc1ccccc1)C1CCOCC1
Show InChI InChI=1S/C25H26N4O2/c1-17-12-21(16-28(2)25(17)30)23-27-22-13-20(19-8-10-31-11-9-19)14-26-24(22)29(23)15-18-6-4-3-5-7-18/h3-7,12-14,16,19H,8-11,15H2,1-2H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 16n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9296748 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM215739
PNG
(US9296748, II-26)
Show SMILES C[C@@H](c1ccccc1)n1c(nc2cnc(cc12)C1CCOCC1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C26H28N4O2/c1-17-13-21(16-29(3)26(17)31)25-28-23-15-27-22(20-9-11-32-12-10-20)14-24(23)30(25)18(2)19-7-5-4-6-8-19/h4-8,13-16,18,20H,9-12H2,1-3H3/t18-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 16n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9296748 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM215783
PNG
(US9296748, IV-15)
Show SMILES C[C@@H](c1ccccc1)n1c(nc2cnc(nc12)N1CCOCC1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C24H26N6O2/c1-16-13-19(15-28(3)23(16)31)21-26-20-14-25-24(29-9-11-32-12-10-29)27-22(20)30(21)17(2)18-7-5-4-6-8-18/h4-8,13-15,17H,9-12H2,1-3H3/t17-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 17n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9296748 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM245805
PNG
(US9428513, I-21)
Show SMILES COC[C@H](C)n1c(nc2cc3c(cc12)N(C(C)C)S(=O)(=O)C3(C)C)-c1cn2c(C)nnc2c(NC(C)C)n1
Show InChI InChI=1/C26H36N8O3S/c1-14(2)27-23-25-31-30-17(6)32(25)12-20(28-23)24-29-19-10-18-21(11-22(19)33(24)16(5)13-37-9)34(15(3)4)38(35,36)26(18,7)8/h10-12,14-16H,13H2,1-9H3,(H,27,28)/t16-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 17n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (PerkinE...


US Patent US9428513 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM205442
PNG
(2S+IBET-PEG7 (28))
Show SMILES COC(=O)CC1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)Cn1c2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n([C@H](C)c2ccccn2)c1=O)c1ccc(Cl)cc1
Show InChI InChI=1/C61H72ClN11O14S/c1-37-53-55(42-11-13-43(62)14-12-42)67-48(34-52(75)79-7)58-69-68-41(5)73(58)60(53)88-57(37)59(76)65-17-19-81-21-23-83-25-27-85-29-31-86-30-28-84-26-24-82-22-20-80-18-16-64-51(74)36-71-49-35-66-47-32-45(54-38(2)70-87-40(54)4)50(78-6)33-44(47)56(49)72(61(71)77)39(3)46-10-8-9-15-63-46/h8-15,32-33,35,39,48H,16-31,34,36H2,1-7H3,(H,64,74)(H,65,76)/t39-,48?/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 17.4n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...


Nat Chem Biol 12: 1089-1096 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM245801
PNG
(US9428513, I-17)
Show SMILES COC[C@H](C)n1c(nc2cc3c(cc12)N(C(C)C)C(=O)C3(C)C)-c1cn2c(C)nnc2c(NC(C)C)n1
Show InChI InChI=1/C27H36N8O2/c1-14(2)28-23-25-32-31-17(6)33(25)12-20(29-23)24-30-19-10-18-21(11-22(19)35(24)16(5)13-37-9)34(15(3)4)26(36)27(18,7)8/h10-12,14-16H,13H2,1-9H3,(H,28,29)/t16-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 18n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (PerkinE...


US Patent US9428513 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM215676
PNG
(US9296748, I-12)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2ccc(F)cc2n1Cc1ccccc1
Show InChI InChI=1S/C21H18FN3O/c1-14-10-16(13-24(2)21(14)26)20-23-18-9-8-17(22)11-19(18)25(20)12-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 18n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9296748 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM215716
PNG
(US9296748, II-3)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C24H25N5O2/c1-17-12-19(16-27(2)24(17)30)23-26-20-14-25-22(28-8-10-31-11-9-28)13-21(20)29(23)15-18-6-4-3-5-7-18/h3-7,12-14,16H,8-11,15H2,1-2H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 18n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9296748 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM205444
PNG
(2S+IBET-PEG1 (24))
Show SMILES COC(=O)CC1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCNC(=O)Cn1c2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n([C@H](C)c2ccccn2)c1=O)c1ccc(Cl)cc1
Show InChI InChI=1/C49H48ClN11O8S/c1-25-41-43(30-11-13-31(50)14-12-30)55-36(22-40(63)67-7)46-57-56-29(5)61(46)48(41)70-45(25)47(64)53-17-19-68-18-16-52-39(62)24-59-37-23-54-35-20-33(42-26(2)58-69-28(42)4)38(66-6)21-32(35)44(37)60(49(59)65)27(3)34-10-8-9-15-51-34/h8-15,20-21,23,27,36H,16-19,22,24H2,1-7H3,(H,52,62)(H,53,64)/t27-,36?/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 18.1n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...


Nat Chem Biol 12: 1089-1096 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM215714
PNG
(US9296748, II-1)
Show SMILES CN1CCN(CC1)c1cc2n(Cc3ccccc3)c(nc2cn1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H28N6O/c1-18-13-20(17-29(3)25(18)32)24-27-21-15-26-23(30-11-9-28(2)10-12-30)14-22(21)31(24)16-19-7-5-4-6-8-19/h4-8,13-15,17H,9-12,16H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 19n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9296748 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM215670
PNG
(US9296748, I-6)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C25H26N4O2/c1-18-14-20(17-27(2)25(18)30)24-26-22-9-8-21(28-10-12-31-13-11-28)15-23(22)29(24)16-19-6-4-3-5-7-19/h3-9,14-15,17H,10-13,16H2,1-2H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 19n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9296748 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM205429
PNG
( (R)-JQ1 (3) | US9320741, (R)-JQ1)
Show SMILES Cc1nnc2[C@@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
Show InChI InChI=1/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/s2
PDB

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...


Nat Chem Biol 12: 1089-1096 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM245800
PNG
(US9428513, I-16)
Show SMILES COC[C@H](C)n1c(nc2cc3c(cc12)N(C)C(=O)C3(C)C)-c1cn2c(C)nnc2c(NC(C)C)n1
Show InChI InChI=1/C25H32N8O2/c1-13(2)26-21-23-30-29-15(4)32(23)11-18(27-21)22-28-17-9-16-19(31(7)24(34)25(16,5)6)10-20(17)33(22)14(3)12-35-8/h9-11,13-14H,12H2,1-8H3,(H,26,27)/t14-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 22n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (PerkinE...


US Patent US9428513 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM215699
PNG
(US9296748, I-35)
Show SMILES C[C@@H](c1ccccc1)n1c(nc2ccc(cc12)C1CCN(C)C(=O)C1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C28H30N4O2/c1-18-14-23(17-31(4)28(18)34)27-29-24-11-10-21(22-12-13-30(3)26(33)16-22)15-25(24)32(27)19(2)20-8-6-5-7-9-20/h5-11,14-15,17,19,22H,12-13,16H2,1-4H3/t19-,22?/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 23n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9296748 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM215774
PNG
(US9296748, IV-6)
Show SMILES CN1CCN(CC1)c1cnc2n(Cc3ccccc3)c(nc2c1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H28N6O/c1-18-13-20(17-29(3)25(18)32)23-27-22-14-21(30-11-9-28(2)10-12-30)15-26-24(22)31(23)16-19-7-5-4-6-8-19/h4-8,13-15,17H,9-12,16H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 23n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9296748 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM242691
PNG
(US9422290, I-4)
Show SMILES CN(Cc1ccccc1)c1cc(N[C@@H]2CCOC2)c2nnc(C)n2n1
Show InChI InChI=1/C18H22N6O/c1-13-20-21-18-16(19-15-8-9-25-12-15)10-17(22-24(13)18)23(2)11-14-6-4-3-5-7-14/h3-7,10,15,19H,8-9,11-12H2,1-2H3/t15-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 25n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9422290 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM242704
PNG
(US9422290, II-14)
Show SMILES CNc1cc(nn2c(C)nnc12)-c1cnn(C)c1Oc1ccccc1
Show InChI InChI=1S/C17H17N7O/c1-11-20-21-16-15(18-2)9-14(22-24(11)16)13-10-19-23(3)17(13)25-12-7-5-4-6-8-12/h4-10,18H,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 26n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9422290 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM245810
PNG
(US9428513, I-27)
Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1C(C)CC(F)(F)F)N1CCOC[C@@H]1C
Show InChI InChI=1/C24H30F3N9O/c1-13(2)29-21-23-33-32-16(5)35(23)11-18(30-21)22-31-17-10-28-20(34-6-7-37-12-15(34)4)8-19(17)36(22)14(3)9-24(25,26)27/h8,10-11,13-15H,6-7,9,12H2,1-5H3,(H,29,30)/t14?,15-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 26n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (PerkinE...


US Patent US9428513 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM245797
PNG
(US9428513, I-13)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1[C@@H](C)COC)N1CCOC[C@@H]1C
Show InChI InChI=1/C22H29N9O2/c1-13-12-33-7-6-29(13)19-8-18-16(9-24-19)26-21(31(18)14(2)11-32-5)17-10-30-15(3)27-28-22(30)20(23-4)25-17/h8-10,13-14H,6-7,11-12H2,1-5H3,(H,23,25)/t13-,14-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 27n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (PerkinE...


US Patent US9428513 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM215732
PNG
(US9296748, II-19)
Show SMILES C[C@@H](c1ccccc1)n1c(nc2cnc(cc12)N1CCOCC1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C25H27N5O2/c1-17-13-20(16-28(3)25(17)31)24-27-21-15-26-23(29-9-11-32-12-10-29)14-22(21)30(24)18(2)19-7-5-4-6-8-19/h4-8,13-16,18H,9-12H2,1-3H3/t18-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 27n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9296748 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM205439
PNG
(6S+IBET-PEG3 (20))
Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCOCCOCCNC(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)c3cnc2cc1-c1c(C)noc1C
Show InChI InChI=1/C52H56ClN11O8S/c1-29-33(5)73-51-46(29)48(35-11-13-36(53)14-12-35)58-41(50-60-59-34(6)64(50)51)26-44(65)55-16-18-69-20-22-71-23-21-70-19-17-56-45(66)28-62-42-27-57-40-24-38(47-30(2)61-72-32(47)4)43(68-7)25-37(40)49(42)63(52(62)67)31(3)39-10-8-9-15-54-39/h8-15,24-25,27,31,41H,16-23,26,28H2,1-7H3,(H,55,65)(H,56,66)/t31-,41+/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 27.4n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...


Nat Chem Biol 12: 1089-1096 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM242705
PNG
(US9422290, II-15)
Show SMILES CNc1cc(nn2c(C)nnc12)-c1cn(C)nc1Oc1ccccc1
Show InChI InChI=1S/C17H17N7O/c1-11-19-20-16-15(18-2)9-14(21-24(11)16)13-10-23(3)22-17(13)25-12-7-5-4-6-8-12/h4-10,18H,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 29n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9422290 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM205440
PNG
(6S+IBET-PEG4 (21))
Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCOCCOCCOCCNC(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)c3cnc2cc1-c1c(C)noc1C
Show InChI InChI=1/C54H60ClN11O9S/c1-31-35(5)76-53-48(31)50(37-11-13-38(55)14-12-37)60-43(52-62-61-36(6)66(52)53)28-46(67)57-16-18-71-20-22-73-24-25-74-23-21-72-19-17-58-47(68)30-64-44-29-59-42-26-40(49-32(2)63-75-34(49)4)45(70-7)27-39(42)51(44)65(54(64)69)33(3)41-10-8-9-15-56-41/h8-15,26-27,29,33,43H,16-25,28,30H2,1-7H3,(H,57,67)(H,58,68)/t33-,43+/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 29.5n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...


Nat Chem Biol 12: 1089-1096 (2016)

More data for this
Ligand-Target Pair
Bromodomain protein 4 (BRD4-BD1)


(Homo sapiens (Human))
BDBM215722
PNG
(US9296748, II-9)
Show SMILES CN(C)c1cc2n(Cc3ccccc3)c(nc2cn1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H23N5O/c1-15-10-17(14-26(4)22(15)28)21-24-18-12-23-20(25(2)3)11-19(18)27(21)13-16-8-6-5-7-9-16/h5-12,14H,13H2,1-4H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 30n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9296748 (2016)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 229 total )  |  Next  |  Last  >>
Jump to: