BindingDB logo
myBDB logout

Patent code US10807982

Compile Data Set for Download or QSAR
Found 105 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM469053
PNG
(4-(5-methoxy-2-methyl-1,1-dioxo-3H-1,2- benzothiaz...)
Show SMILES COc1cc2CN(C)S(=O)(=O)c2cc1-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C19H18N2O4S/c1-20-11-16(13-6-4-5-7-14(13)19(20)22)15-9-18-12(8-17(15)25-3)10-21(2)26(18,23)24/h4-9,11H,10H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469059
PNG
(5-[5-(cyclopropylmethoxy)-2-methyl-1,1-dioxo- 3H-1...)
Show SMILES CN1Cc2cc(OCC3CC3)c(cc2S1(=O)=O)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C19H22N2O4S/c1-12-6-14(9-20(2)19(12)22)16-8-18-15(10-21(3)26(18,23)24)7-17(16)25-11-13-4-5-13/h6-9,13H,4-5,10-11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469075
PNG
(5-[5-(cyclopropylmethoxy)-2-ethyl-1,1-dioxo-3H- 1,...)
Show SMILES CCN1Cc2cc(OCC3CC3)c(cc2S1(=O)=O)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C20H24N2O4S/c1-4-22-11-16-8-18(26-12-14-5-6-14)17(9-19(16)27(22,24)25)15-7-13(2)20(23)21(3)10-15/h7-10,14H,4-6,11-12H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469102
PNG
(5-[5-(cyclopropylmethoxy)-1-ethylsulfonyl-2,3- dih...)
Show SMILES CCS(=O)(=O)N1CCc2cc(OCC3CC3)c(cc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C21H26N2O4S/c1-4-28(25,26)23-8-7-16-10-20(27-13-15-5-6-15)18(11-19(16)23)17-9-14(2)21(24)22(3)12-17/h9-12,15H,4-8,13H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469124
PNG
(N-[2-(1,5-dimethyl-6-oxopyridin-3-yl)-9-[(4- fluor...)
Show SMILES Cc1nc2c(NS(C)(=O)=O)nc(nc2n1Cc1ccc(F)cc1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C21H21FN6O3S/c1-12-9-15(11-27(3)21(12)29)18-24-19(26-32(4,30)31)17-20(25-18)28(13(2)23-17)10-14-5-7-16(22)8-6-14/h5-9,11H,10H2,1-4H3,(H,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469126
PNG
(5-(2-cyclopropyl-5-methylsulfonyl-1-benzofuran- 7-...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(cc2cc(oc12)C1CC1)S(C)(=O)=O
Show InChI InChI=1S/C19H19NO4S/c1-11-6-14(10-20(2)19(11)21)16-9-15(25(3,22)23)7-13-8-17(12-4-5-12)24-18(13)16/h6-10,12H,4-5H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469148
PNG
(N-[6-(1,5-dimethyl-6-oxopyridin-3-yl)-1-[(4- fluor...)
Show SMILES CCS(=O)(=O)Nc1cc(cc2n(Cc3ccc(F)cc3)nnc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H22FN5O3S/c1-4-32(30,31)25-19-10-16(17-9-14(2)22(29)27(3)13-17)11-20-21(19)24-26-28(20)12-15-5-7-18(23)8-6-15/h5-11,13,25H,4,12H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469159
PNG
(N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6- oxopyr...)
Show SMILES Cc1nc2c(NS(C)(=O)=O)cc(cc2n1CC1CC1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C20H24N4O3S/c1-12-7-16(11-23(3)20(12)25)15-8-17(22-28(4,26)27)19-18(9-15)24(13(2)21-19)10-14-5-6-14/h7-9,11,14,22H,5-6,10H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469164
PNG
(Step 1: 6-bromo-2-methyl-4-nitro-1-(1-phenylethyl)...)
Show SMILES CC(c1ccccc1)n1c(C)nc2c(NS(C)(=O)=O)cc(cc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C24H26N4O3S/c1-15-11-20(14-27(4)24(15)29)19-12-21(26-32(5,30)31)23-22(13-19)28(17(3)25-23)16(2)18-9-7-6-8-10-18/h6-14,16,26H,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469168
PNG
(N-[2-cyclopropyl-7-(2-methyl-1-oxoisoquinolin- 4-y...)
Show SMILES CCS(=O)(=O)Nc1cc(-c2cn(C)c(=O)c3ccccc23)c2oc(nc2c1)C1CC1
Show InChI InChI=1S/C22H21N3O4S/c1-3-30(27,28)24-14-10-17(20-19(11-14)23-21(29-20)13-8-9-13)18-12-25(2)22(26)16-7-5-4-6-15(16)18/h4-7,10-13,24H,3,8-9H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469178
PNG
(5-[6-(cyclopropylmethoxy)-1-methyl-3- methylsulfon...)
Show SMILES CN1N=S(c2cc(c(OCC3CC3)cc12)-c1cc(C)c(=O)n(C)c1)S(C)(=O)=O
Show InChI InChI=1S/C19H23N3O4S2/c1-12-7-14(10-21(2)19(12)23)15-8-18-16(9-17(15)26-11-13-5-6-13)22(3)20-27(18)28(4,24)25/h7-10,13H,5-6,11H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469184
PNG
(N-[6-(1,5-dimethyl-6-oxopyridin-3-yl)-3-fluoro-1- ...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(NS(C)(=O)=O)c2c(F)nn(Cc3ccc(F)cc3)c2c1
Show InChI InChI=1S/C22H20F2N4O3S/c1-13-8-16(12-27(2)22(13)29)15-9-18(26-32(3,30)31)20-19(10-15)28(25-21(20)24)11-14-4-6-17(23)7-5-14/h4-10,12,26H,11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469189
PNG
(5-[3-(cyclopropylmethyl)-7-ethylsulfonyl-2- methyl...)
Show SMILES CCS(=O)(=O)c1cc(cc2n(CC3CC3)c(C)nc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C21H25N3O3S/c1-5-28(26,27)19-10-16(17-8-13(2)21(25)23(4)12-17)9-18-20(19)22-14(3)24(18)11-15-6-7-15/h8-10,12,15H,5-7,11H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469191
PNG
(5-[3-(cyclopropylmethyl)-2-methyl-7- methylsulfony...)
Show SMILES Cc1nc2c(cc(cc2n1CC1CC1)-c1cc(C)c(=O)n(C)c1)S(C)(=O)=O
Show InChI InChI=1S/C20H23N3O3S/c1-12-7-16(11-22(3)20(12)24)15-8-17-19(18(9-15)27(4,25)26)21-13(2)23(17)10-14-5-6-14/h7-9,11,14H,5-6,10H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469195
PNG
(5-(1-ethyl-4-methylsulfonylindol-2-yl)-1,3- dimeth...)
Show SMILES CCn1c(cc2c(cccc12)S(C)(=O)=O)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C18H20N2O3S/c1-5-20-15-7-6-8-17(24(4,22)23)14(15)10-16(20)13-9-12(2)18(21)19(3)11-13/h6-11H,5H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469205
PNG
(N-[4-(2,4-difluorophenoxy)-3-(6-methyl-5-oxo- 2,3-...)
Show SMILES Cc1cc(c2CCCn2c1=O)-c1cc(NS(C)(=O)=O)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C22H20F2N2O4S/c1-13-10-16(19-4-3-9-26(19)22(13)27)17-12-15(25-31(2,28)29)6-8-20(17)30-21-7-5-14(23)11-18(21)24/h5-8,10-12,25H,3-4,9H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469219
PNG
(5-[2-cyclopropyl-5-(ethylsulfonylmethyl)-1,3- benz...)
Show SMILES CCS(=O)(=O)Cc1cc(-c2cc(OC)c(=O)n(C)c2)c2oc(nc2c1)C1CC1
Show InChI InChI=1S/C20H22N2O5S/c1-4-28(24,25)11-12-7-15(14-9-17(26-3)20(23)22(2)10-14)18-16(8-12)21-19(27-18)13-5-6-13/h7-10,13H,4-6,11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469223
PNG
(N-[1-benzyl-6-(1,5-dimethyl-6-oxopyridin-3-yl)- 3-...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(NS(C)(=O)=O)c2c(F)nn(Cc3ccccc3)c2c1
Show InChI InChI=1S/C22H21FN4O3S/c1-14-9-17(13-26(2)22(14)28)16-10-18(25-31(3,29)30)20-19(11-16)27(24-21(20)23)12-15-7-5-4-6-8-15/h4-11,13,25H,12H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469073
PNG
(4-[5-(cyclopropylmethoxy)-2-ethyl-1,1-dioxo-3H- 1,...)
Show SMILES CCN1Cc2cc(OCC3CC3)c(cc2S1(=O)=O)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C23H24N2O4S/c1-3-25-12-16-10-21(29-14-15-8-9-15)19(11-22(16)30(25,27)28)20-13-24(2)23(26)18-7-5-4-6-17(18)20/h4-7,10-11,13,15H,3,8-9,12,14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469156
PNG
(N-[6-(1,5-dimethyl-6-oxopyridin-3-yl)-1-[(3- fluor...)
Show SMILES CCS(=O)(=O)Nc1cc(cc2n(Cc3cccc(F)c3)c(C)nc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C24H25FN4O3S/c1-5-33(31,32)27-21-11-18(19-9-15(2)24(30)28(4)14-19)12-22-23(21)26-16(3)29(22)13-17-7-6-8-20(25)10-17/h6-12,14,27H,5,13H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469174
PNG
(N-[2-cyclopropyl-7-(1,5-dimethyl-6-oxopyridin- 3-y...)
Show SMILES CCS(=O)(=O)Nc1cc(-c2cc(C)c(=O)n(C)c2)c2nc(C3CC3)n(C)c2c1
Show InChI InChI=1S/C20H24N4O3S/c1-5-28(26,27)22-15-9-16(14-8-12(2)20(25)23(3)11-14)18-17(10-15)24(4)19(21-18)13-6-7-13/h8-11,13,22H,5-7H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469187
PNG
(5-(3-benzyl-2-methyl-7- methylsulfonylbenzimidazol...)
Show SMILES Cc1nc2c(cc(cc2n1Cc1ccccc1)-c1cc(C)c(=O)n(C)c1)S(C)(=O)=O
Show InChI InChI=1S/C23H23N3O3S/c1-15-10-19(14-25(3)23(15)27)18-11-20-22(21(12-18)30(4,28)29)24-16(2)26(20)13-17-8-6-5-7-9-17/h5-12,14H,13H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469196
PNG
(5-[1-(2-cyclopropylethyl)-4-methylsulfonylindol- 2...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc2c(cccc2n1CCC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C21H24N2O3S/c1-14-11-16(13-22(2)21(14)24)19-12-17-18(23(19)10-9-15-7-8-15)5-4-6-20(17)27(3,25)26/h4-6,11-13,15H,7-10H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469204
PNG
(8-[2-(cyclopropylmethoxy)-5- methylsulfonylphenyl]...)
Show SMILES Cc1cc(c2CCCn2c1=O)-c1cc(ccc1OCC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C20H23NO4S/c1-13-10-16(18-4-3-9-21(18)20(13)22)17-11-15(26(2,23)24)7-8-19(17)25-12-14-5-6-14/h7-8,10-11,14H,3-6,9,12H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469207
PNG
(N-[4-(2,4-difluorophenoxy)-3-(2,2,6-trimethyl-5- o...)
Show SMILES Cc1cc(c2CC(C)(C)Cn2c1=O)-c1cc(NS(C)(=O)=O)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C24H24F2N2O4S/c1-14-9-17(20-12-24(2,3)13-28(20)23(14)29)18-11-16(27-33(4,30)31)6-8-21(18)32-22-7-5-15(25)10-19(22)26/h5-11,27H,12-13H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469211
PNG
(N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6- oxopyr...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(NS(C)(=O)=O)c2nc(n(CC3CC3)c2c1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N4O3S/c1-11-6-14(10-26(2)18(11)28)13-7-15(25-31(3,29)30)17-16(8-13)27(9-12-4-5-12)19(24-17)20(21,22)23/h6-8,10,12,25H,4-5,9H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469221
PNG
(N-[5-(1,5-dimethyl-6-oxopyridin-3-yl)-3-[(4- fluor...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(NS(C)(=O)=O)c2oc(=O)n(Cc3ccc(F)cc3)c2c1
Show InChI InChI=1S/C22H20FN3O5S/c1-13-8-16(12-25(2)21(13)27)15-9-18(24-32(3,29)30)20-19(10-15)26(22(28)31-20)11-14-4-6-17(23)7-5-14/h4-10,12,24H,11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469090
PNG
(5-[5-(2,4-difluorophenoxy)-2-methyl-1,1-dioxo- 3H-...)
Show SMILES CN1Cc2cc(Oc3ccc(F)cc3F)c(cc2S1(=O)=O)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C20H16F2N2O4S/c1-23-10-12(3-6-20(23)25)15-9-19-13(11-24(2)29(19,26)27)7-18(15)28-17-5-4-14(21)8-16(17)22/h3-10H,11H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469095
PNG
(5-[5-(cyclopropylmethoxy)-1-methylsulfonyl-2,3- di...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc2N(CCc2cc1OCC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C20H24N2O4S/c1-13-8-16(11-21(2)20(13)23)17-10-18-15(6-7-22(18)27(3,24)25)9-19(17)26-12-14-4-5-14/h8-11,14H,4-7,12H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469147
PNG
(N-[1-benzyl-6-(1,5-dimethyl-6-oxopyridin-3- yl)ben...)
Show SMILES CCS(=O)(=O)Nc1cc(cc2n(Cc3ccccc3)nnc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H23N5O3S/c1-4-31(29,30)24-19-11-17(18-10-15(2)22(28)26(3)14-18)12-20-21(19)23-25-27(20)13-16-8-6-5-7-9-16/h5-12,14,24H,4,13H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469150
PNG
(4-[6-(cyclopropylmethoxy)-3-ethylsulfonyl-1- methy...)
Show SMILES CCS(=O)(=O)c1nn(C)c2cc(OCC3CC3)c(cc12)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C24H25N3O4S/c1-4-32(29,30)23-19-11-18(20-13-26(2)24(28)17-8-6-5-7-16(17)20)22(31-14-15-9-10-15)12-21(19)27(3)25-23/h5-8,11-13,15H,4,9-10,14H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469157
PNG
(N-[6-(1,5-dimethyl-6-oxopyridin-3-yl)-1-[(4- fluor...)
Show SMILES Cc1nc2c(NS(C)(=O)=O)cc(cc2n1Cc1ccc(F)cc1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C23H23FN4O3S/c1-14-9-18(13-27(3)23(14)29)17-10-20(26-32(4,30)31)22-21(11-17)28(15(2)25-22)12-16-5-7-19(24)8-6-16/h5-11,13,26H,12H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469163
PNG
(N-[6-(1,5-dimethyl-6-oxopyridin-3-yl)-1-[(4- fluor...)
Show SMILES CCS(=O)(=O)Nc1cc(cc2n(Cc3ccc(F)cc3)ncc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C23H23FN4O3S/c1-4-32(30,31)26-21-10-17(18-9-15(2)23(29)27(3)14-18)11-22-20(21)12-25-28(22)13-16-5-7-19(24)8-6-16/h5-12,14,26H,4,13H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469169
PNG
(4-[7-(cyclopropylmethoxy)-4-ethylsulfonyl-2,3- dih...)
Show SMILES CCS(=O)(=O)N1CCOc2cc(OCC3CC3)c(cc12)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C24H26N2O5S/c1-3-32(28,29)26-10-11-30-23-13-22(31-15-16-8-9-16)19(12-21(23)26)20-14-25(2)24(27)18-7-5-4-6-17(18)20/h4-7,12-14,16H,3,8-11,15H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469181
PNG
(N-[1-benzyl-6-(1,5-dimethyl-6-oxopyridin-3-yl)- 2-...)
Show SMILES Cc1nc2c(NS(C)(=O)=O)nc(cc2n1Cc1ccccc1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H23N5O3S/c1-14-10-17(13-26(3)22(14)28)18-11-19-20(21(24-18)25-31(4,29)30)23-15(2)27(19)12-16-8-6-5-7-9-16/h5-11,13H,12H2,1-4H3,(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469186
PNG
(N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6- oxopyr...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(NS(C)(=O)=O)c2c(F)nn(CC3CC3)c2c1
Show InChI InChI=1S/C19H21FN4O3S/c1-11-6-14(10-23(2)19(11)25)13-7-15(22-28(3,26)27)17-16(8-13)24(21-18(17)20)9-12-4-5-12/h6-8,10,12,22H,4-5,9H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469203
PNG
(N-[7-(2-methyl-1-oxoisoquinolin-4-yl)-2-phenyl- 1-...)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)cc3cc(oc23)-c2ccccc2)c2ccccc2c1=O
Show InChI InChI=1S/C25H20N2O4S/c1-27-15-22(19-10-6-7-11-20(19)25(27)28)21-14-18(26-32(2,29)30)12-17-13-23(31-24(17)21)16-8-4-3-5-9-16/h3-15,26H,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469213
PNG
(N-[1-butyl-6-(1,5-dimethyl-6-oxopyridin-3-yl)-2- m...)
Show SMILES CCCCn1c(C)nc2c(NS(C)(=O)=O)cc(cc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C20H26N4O3S/c1-6-7-8-24-14(3)21-19-17(22-28(5,26)27)10-15(11-18(19)24)16-9-13(2)20(25)23(4)12-16/h9-12,22H,6-8H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469222
PNG
(N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6- oxopyr...)
Show SMILES CCS(=O)(=O)Nc1cc(cc2n(CC3CC3)c(OC)nc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C21H26N4O4S/c1-5-30(27,28)23-17-9-15(16-8-13(2)20(26)24(3)12-16)10-18-19(17)22-21(29-4)25(18)11-14-6-7-14/h8-10,12,14,23H,5-7,11H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469045
PNG
(5-(5-methoxy-2-methyl-1,1-dioxo-3H-1,2- benzothiaz...)
Show SMILES COc1cc2CN(C)S(=O)(=O)c2cc1-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C16H18N2O4S/c1-10-5-11(8-17(2)16(10)19)13-7-15-12(6-14(13)22-4)9-18(3)23(15,20)21/h5-8H,9H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469086
PNG
(2-methyl-4-[2-methyl-1,1-dioxo-5-(2,2,2- trifluoro...)
Show SMILES CN1Cc2cc(OCC(F)(F)F)c(cc2S1(=O)=O)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C20H17F3N2O4S/c1-24-10-16(13-5-3-4-6-14(13)19(24)26)15-8-18-12(9-25(2)30(18,27)28)7-17(15)29-11-20(21,22)23/h3-8,10H,9,11H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469119
PNG
(N-[1-benzyl-6-(2-methyl-1-oxoisoquinolin-4-yl)- 2,...)
Show SMILES Cn1cc(-c2cc3N(Cc4ccccc4)CCc3c(NS(C)(=O)=O)c2)c2ccccc2c1=O
Show InChI InChI=1S/C26H25N3O3S/c1-28-17-23(20-10-6-7-11-21(20)26(28)30)19-14-24(27-33(2,31)32)22-12-13-29(25(22)15-19)16-18-8-4-3-5-9-18/h3-11,14-15,17,27H,12-13,16H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469152
PNG
(N-[6-(1,5-dimethyl-6-oxopyridin-3-yl)-1-[(3- fluor...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(NS(C)(=O)=O)c2ncn(Cc3cccc(F)c3)c2c1
Show InChI InChI=1S/C22H21FN4O3S/c1-14-7-17(12-26(2)22(14)28)16-9-19(25-31(3,29)30)21-20(10-16)27(13-24-21)11-15-5-4-6-18(23)8-15/h4-10,12-13,25H,11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469154
PNG
(N-1-benzyl-6-(1,5-dimethyl-6-oxopyridin-3-yl)- 2-m...)
Show SMILES Cc1nc2c(NS(C)(=O)=O)cc(cc2n1Cc1ccccc1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C23H24N4O3S/c1-15-10-19(14-26(3)23(15)28)18-11-20(25-31(4,29)30)22-21(12-18)27(16(2)24-22)13-17-8-6-5-7-9-17/h5-12,14,25H,13H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469160
PNG
(N-[1-butyl-6-(1,5-dimethyl-6-oxopyridin-3- yl)benz...)
Show SMILES CCCCn1cnc2c(NS(=O)(=O)CC)cc(cc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C20H26N4O3S/c1-5-7-8-24-13-21-19-17(22-28(26,27)6-2)10-15(11-18(19)24)16-9-14(3)20(25)23(4)12-16/h9-13,22H,5-8H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469164
PNG
(Step 1: 6-bromo-2-methyl-4-nitro-1-(1-phenylethyl)...)
Show SMILES CC(c1ccccc1)n1c(C)nc2c(NS(C)(=O)=O)cc(cc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C24H26N4O3S/c1-15-11-20(14-27(4)24(15)29)19-12-21(26-32(5,30)31)23-22(13-19)28(17(3)25-23)16(2)18-9-7-6-8-10-18/h6-14,16,26H,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469167
PNG
(N-[2-cyclopropyl-7-(1,5-dimethyl-6-oxopyridin- 3-y...)
Show SMILES CCS(=O)(=O)Nc1cc(-c2cc(C)c(=O)n(C)c2)c2oc(nc2c1)C1CC1
Show InChI InChI=1S/C19H21N3O4S/c1-4-27(24,25)21-14-8-15(13-7-11(2)19(23)22(3)10-13)17-16(9-14)20-18(26-17)12-5-6-12/h7-10,12,21H,4-6H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469171
PNG
(N-[2-cyclopropyl-7-(1,5-dimethyl-6-oxopyridin- 3-y...)
Show SMILES CC(C)S(=O)(=O)Nc1cc(-c2cc(C)c(=O)n(C)c2)c2oc(nc2c1)C1CC1
Show InChI InChI=1S/C20H23N3O4S/c1-11(2)28(25,26)22-15-8-16(14-7-12(3)20(24)23(4)10-14)18-17(9-15)21-19(27-18)13-5-6-13/h7-11,13,22H,5-6H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469194
PNG
(N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6- oxopyr...)
Show SMILES CCc1nc2c(NS(C)(=O)=O)cc(cc2n1CC1CC1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C21H26N4O3S/c1-5-19-22-20-17(23-29(4,27)28)9-15(10-18(20)25(19)11-14-6-7-14)16-8-13(2)21(26)24(3)12-16/h8-10,12,14,23H,5-7,11H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469209
PNG
(8-[2-(cyclopropylmethoxy)-5- methylsulfonylphenyl]...)
Show SMILES Cc1cc(c2C(F)CCn2c1=O)-c1cc(ccc1OCC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C20H22FNO4S/c1-12-9-16(19-17(21)7-8-22(19)20(12)23)15-10-14(27(2,24)25)5-6-18(15)26-11-13-3-4-13/h5-6,9-10,13,17H,3-4,7-8,11H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469214
PNG
(N-[1-butyl-6-(5-methoxy-1-methyl-6-oxopyridin- 3-y...)
Show SMILES CCCCn1c(C)nc2c(NS(C)(=O)=O)cc(cc12)-c1cc(OC)c(=O)n(C)c1
Show InChI InChI=1S/C20H26N4O4S/c1-6-7-8-24-13(2)21-19-16(22-29(5,26)27)9-14(10-17(19)24)15-11-18(28-4)20(25)23(3)12-15/h9-12,22H,6-8H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469216
PNG
(5-[3-(cyclopropylmethyl)-2-ethoxy-7- (methylsulfon...)
Show SMILES CCOc1nc2c(CS(C)(=O)=O)cc(cc2n1CC1CC1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H27N3O4S/c1-5-29-22-23-20-18(13-30(4,27)28)9-16(10-19(20)25(22)11-15-6-7-15)17-8-14(2)21(26)24(3)12-17/h8-10,12,15H,5-7,11,13H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469089
PNG
(5-[5-(2,4-difluorophenoxy)-2-methyl-1,1-dioxo- 3H-...)
Show SMILES CN1Cc2cc(Oc3ccc(F)cc3F)c(cc2S1(=O)=O)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C21H18F2N2O4S/c1-12-6-13(10-24(2)21(12)26)16-9-20-14(11-25(3)30(20,27)28)7-19(16)29-18-5-4-15(22)8-17(18)23/h4-10H,11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469092
PNG
(4-[5-(cyclopropylmethoxy)-1-ethylsulfonyl-2,3- dih...)
Show SMILES CCS(=O)(=O)N1CCc2cc(OCC3CC3)c(cc12)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C24H26N2O4S/c1-3-31(28,29)26-11-10-17-12-23(30-15-16-8-9-16)20(13-22(17)26)21-14-25(2)24(27)19-7-5-4-6-18(19)21/h4-7,12-14,16H,3,8-11,15H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469114
PNG
(N-[1-benzyl-6-(1,5-dimethyl-6-oxopyridin-3-yl)- 2,...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc2N(Cc3ccccc3)CCc2c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C23H25N3O3S/c1-16-11-19(15-25(2)23(16)27)18-12-21(24-30(3,28)29)20-9-10-26(22(20)13-18)14-17-7-5-4-6-8-17/h4-8,11-13,15,24H,9-10,14H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469121
PNG
(5-(2-ethyl-5-methylsulfonyl-1-benzofuran-7-yl)- 1,...)
Show SMILES CCc1cc2cc(cc(-c3cc(C)c(=O)n(C)c3)c2o1)S(C)(=O)=O
Show InChI InChI=1S/C18H19NO4S/c1-5-14-7-12-8-15(24(4,21)22)9-16(17(12)23-14)13-6-11(2)18(20)19(3)10-13/h6-10H,5H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469149
PNG
(4-[6-(cyclopropylmethoxy)-1-methyl-3- methylsulfon...)
Show SMILES Cn1nc(c2cc(c(OCC3CC3)cc12)-c1cn(C)c(=O)c2ccccc12)S(C)(=O)=O
Show InChI InChI=1S/C23H23N3O4S/c1-25-12-19(15-6-4-5-7-16(15)23(25)27)17-10-18-20(11-21(17)30-13-14-8-9-14)26(2)24-22(18)31(3,28)29/h4-7,10-12,14H,8-9,13H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469158
PNG
(N-[1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1- meth...)
Show SMILES COc1cc(cn(C)c1=O)-c1cc(NS(C)(=O)=O)c2nc(C)n(Cc3ccc(F)cc3)c2c1
Show InChI InChI=1S/C23H23FN4O4S/c1-14-25-22-19(26-33(4,30)31)9-16(17-11-21(32-3)23(29)27(2)13-17)10-20(22)28(14)12-15-5-7-18(24)8-6-15/h5-11,13,26H,12H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469161
PNG
(N-[1-[(2,4-difluorophenyl)methyl]-6-(1,5- dimethyl...)
Show SMILES CCS(=O)(=O)Nc1cc(cc2n(Cc3ccc(F)cc3F)cnc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C23H22F2N4O3S/c1-4-33(31,32)27-20-8-16(17-7-14(2)23(30)28(3)11-17)9-21-22(20)26-13-29(21)12-15-5-6-18(24)10-19(15)25/h5-11,13,27H,4,12H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469166
PNG
(N-[6-(1,5-dimethyl-6-oxopyridin-3-yl)-1-[(2R)-1- m...)
Show SMILES COC[C@@H](C)n1c(C)nc2c(NS(C)(=O)=O)cc(cc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C20H26N4O4S/c1-12-7-16(10-23(4)20(12)25)15-8-17(22-29(6,26)27)19-18(9-15)24(14(3)21-19)13(2)11-28-5/h7-10,13,22H,11H2,1-6H3/t13-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469172
PNG
(N-[2-cyclopropyl-7-(1,5-dimethyl-6-oxopyridin-3- y...)
Show SMILES CCS(=O)(=O)Nc1cc(-c2cc(C)c(=O)n(C)c2)c2oc(nc2c1)C1CCCC1
Show InChI InChI=1S/C21H25N3O4S/c1-4-29(26,27)23-16-10-17(15-9-13(2)21(25)24(3)12-15)19-18(11-16)22-20(28-19)14-7-5-6-8-14/h9-12,14,23H,4-8H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469175
PNG
(N-[2-cyclopropyl-3-methyl-7-(2-methyl-1- oxoisoqui...)
Show SMILES CCS(=O)(=O)Nc1cc(-c2cn(C)c(=O)c3ccccc23)c2nc(C3CC3)n(C)c2c1
Show InChI InChI=1S/C23H24N4O3S/c1-4-31(29,30)25-15-11-18(21-20(12-15)27(3)22(24-21)14-9-10-14)19-13-26(2)23(28)17-8-6-5-7-16(17)19/h5-8,11-14,25H,4,9-10H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469176
PNG
(5-[2-cyclopropyl-5-(methylsulfonylmethyl)-1,3- ben...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(CS(C)(=O)=O)cc2nc(oc12)C1CC1
Show InChI InChI=1S/C19H20N2O4S/c1-11-6-14(9-21(2)19(11)22)15-7-12(10-26(3,23)24)8-16-17(15)25-18(20-16)13-4-5-13/h6-9,13H,4-5,10H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469182
PNG
(N-[1-[(2,4-difluorophenyl)methyl]-6-(1,5- dimethyl...)
Show SMILES Cc1nc2c(NS(C)(=O)=O)nc(cc2n1Cc1ccc(F)cc1F)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H21F2N5O3S/c1-12-7-15(10-28(3)22(12)30)18-9-19-20(21(26-18)27-33(4,31)32)25-13(2)29(19)11-14-5-6-16(23)8-17(14)24/h5-10H,11H2,1-4H3,(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469199
PNG
(N-[2-cyclopropyl-7-(1,5-dimethyl-6-oxopyridin- 3-y...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(NS(C)(=O)=O)cc2cc(oc12)C1CC1
Show InChI InChI=1S/C19H20N2O4S/c1-11-6-14(10-21(2)19(11)22)16-9-15(20-26(3,23)24)7-13-8-17(12-4-5-12)25-18(13)16/h6-10,12,20H,4-5H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469201
PNG
(N-[2-cyclopropyl-7-(2-methyl-1-oxoisoquinolin- 4-y...)
Show SMILES CCS(=O)(=O)Nc1cc(-c2cn(C)c(=O)c3ccccc23)c2oc(cc2c1)C1CC1
Show InChI InChI=1S/C23H22N2O4S/c1-3-30(27,28)24-16-10-15-11-21(14-8-9-14)29-22(15)19(12-16)20-13-25(2)23(26)18-7-5-4-6-17(18)20/h4-7,10-14,24H,3,8-9H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469202
PNG
(N-[7-(1,5-dimethyl-6-oxopyridin-3-yl)-2-phenyl- 1-...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(NS(C)(=O)=O)cc2cc(oc12)-c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c1-14-9-17(13-24(2)22(14)25)19-12-18(23-29(3,26)27)10-16-11-20(28-21(16)19)15-7-5-4-6-8-15/h4-13,23H,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469220
PNG
(N-[3-(cyclopropylmethyl)-5-(1,5-dimethyl-6- oxopyr...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(NS(C)(=O)=O)c2oc(=O)n(CC3CC3)c2c1
Show InChI InChI=1S/C19H21N3O5S/c1-11-6-14(10-21(2)18(11)23)13-7-15(20-28(3,25)26)17-16(8-13)22(19(24)27-17)9-12-4-5-12/h6-8,10,12,20H,4-5,9H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469103
PNG
(N-[1-benzyl-6-(2-methyl-1-oxoisoquinolin-4- yl)ind...)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)c3ccn(Cc4ccccc4)c3c2)c2ccccc2c1=O
Show InChI InChI=1S/C26H23N3O3S/c1-28-17-23(20-10-6-7-11-21(20)26(28)30)19-14-24(27-33(2,31)32)22-12-13-29(25(22)15-19)16-18-8-4-3-5-9-18/h3-15,17,27H,16H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469146
PNG
(2-methyl-4-(5-methylsulfonyl-2-phenyl-1- benzofura...)
Show SMILES Cn1cc(-c2cc(cc3cc(oc23)-c2ccccc2)S(C)(=O)=O)c2ccccc2c1=O
Show InChI InChI=1S/C25H19NO4S/c1-26-15-22(19-10-6-7-11-20(19)25(26)27)21-14-18(31(2,28)29)12-17-13-23(30-24(17)21)16-8-4-3-5-9-16/h3-15H,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469155
PNG
(N-[6-(1,5-dimethyl-6-oxopyridin-3-yl)-1-[(3- fluor...)
Show SMILES Cc1nc2c(NS(C)(=O)=O)cc(cc2n1Cc1cccc(F)c1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C23H23FN4O3S/c1-14-8-18(13-27(3)23(14)29)17-10-20(26-32(4,30)31)22-21(11-17)28(15(2)25-22)12-16-6-5-7-19(24)9-16/h5-11,13,26H,12H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469177
PNG
(N-[2-cyclopentyl-7-(5-methoxy-1-methyl-6- oxopyrid...)
Show SMILES CCS(=O)(=O)Nc1cc(-c2cc(OC)c(=O)n(C)c2)c2oc(nc2c1)C1CCCC1
Show InChI InChI=1S/C21H25N3O5S/c1-4-30(26,27)23-15-10-16(14-9-18(28-3)21(25)24(2)12-14)19-17(11-15)22-20(29-19)13-7-5-6-8-13/h9-13,23H,4-8H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469185
PNG
(N-[3-fluoro-1-[(4-fluorophenyl)methyl]-6-(5- metho...)
Show SMILES COc1cc(cn(C)c1=O)-c1cc(NS(C)(=O)=O)c2c(F)nn(Cc3ccc(F)cc3)c2c1
Show InChI InChI=1S/C22H20F2N4O4S/c1-27-12-15(10-19(32-2)22(27)29)14-8-17(26-33(3,30)31)20-18(9-14)28(25-21(20)24)11-13-4-6-16(23)7-5-13/h4-10,12,26H,11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469190
PNG
(5-[3-(cyclopropylmethyl)-7-ethylsulfonyl-2- methyl...)
Show SMILES CCS(=O)(=O)c1cc(cc2n(CC3CC3)c(C)nc12)-c1cc(OC)c(=O)n(C)c1
Show InChI InChI=1S/C21H25N3O4S/c1-5-29(26,27)19-10-15(16-9-18(28-4)21(25)23(3)12-16)8-17-20(19)22-13(2)24(17)11-14-6-7-14/h8-10,12,14H,5-7,11H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469192
PNG
(N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6- oxopyr...)
Show SMILES CCOc1nc2c(NS(C)(=O)=O)cc(cc2n1CC1CC1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C21H26N4O4S/c1-5-29-21-22-19-17(23-30(4,27)28)9-15(10-18(19)25(21)11-14-6-7-14)16-8-13(2)20(26)24(3)12-16/h8-10,12,14,23H,5-7,11H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469193
PNG
(N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6- oxopyr...)
Show SMILES COc1nc2c(NS(C)(=O)=O)cc(cc2n1CC1CC1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C20H24N4O4S/c1-12-7-15(11-23(2)19(12)25)14-8-16(22-29(4,26)27)18-17(9-14)24(10-13-5-6-13)20(21-18)28-3/h7-9,11,13,22H,5-6,10H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469217
PNG
(5-[3-(cyclopropylmethyl)-2-ethoxy-7- (methylsulfon...)
Show SMILES CCOc1nc2c(CS(C)(=O)=O)cc(cc2n1CC1CC1)-c1cc(OC)c(=O)n(C)c1
Show InChI InChI=1S/C22H27N3O5S/c1-5-30-22-23-20-17(13-31(4,27)28)8-15(9-18(20)25(22)11-14-6-7-14)16-10-19(29-3)21(26)24(2)12-16/h8-10,12,14H,5-7,11,13H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469224
PNG
(N-[6-(1,5-dimethyl-6-oxopyridin-3-yl)-3-fluoro-1- ...)
Show SMILES CCS(=O)(=O)Nc1cc(cc2n(Cc3ccc(F)cc3)nc(F)c12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C23H22F2N4O3S/c1-4-33(31,32)27-19-10-16(17-9-14(2)23(30)28(3)13-17)11-20-21(19)22(25)26-29(20)12-15-5-7-18(24)8-6-15/h5-11,13,27H,4,12H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469225
PNG
(N-[1-benzyl-6-(1,5-dimethyl-6-oxopyridin-3-yl)- 3-...)
Show SMILES CCS(=O)(=O)Nc1cc(cc2n(Cc3ccccc3)nc(F)c12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C23H23FN4O3S/c1-4-32(30,31)26-19-11-17(18-10-15(2)23(29)27(3)14-18)12-20-21(19)22(24)25-28(20)13-16-8-6-5-7-9-16/h5-12,14,26H,4,13H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469072
PNG
(4-[5-(cyclopropylmethoxy)-2-methyl-1,1-dioxo- 3H-1...)
Show SMILES CN1Cc2cc(OCC3CC3)c(cc2S1(=O)=O)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C22H22N2O4S/c1-23-12-19(16-5-3-4-6-17(16)22(23)25)18-10-21-15(11-24(2)29(21,26)27)9-20(18)28-13-14-7-8-14/h3-6,9-10,12,14H,7-8,11,13H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469136
PNG
(4-(2-cyclopropyl-5-ethylsulfonyl-1-benzofuran- 7-y...)
Show SMILES Cn1cc(-c2cc(cc3cc(oc23)C2CC2)S(C)(=O)=O)c2ccccc2c1=O
Show InChI InChI=1S/C22H19NO4S/c1-23-12-19(16-5-3-4-6-17(16)22(23)24)18-11-15(28(2,25)26)9-14-10-20(13-7-8-13)27-21(14)18/h3-6,9-13H,7-8H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469142
PNG
(1,3-dimethyl-5-(5-methylsulfonyl-2-phenyl-1- benzo...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(cc2cc(oc12)-c1ccccc1)S(C)(=O)=O
Show InChI InChI=1S/C22H19NO4S/c1-14-9-17(13-23(2)22(14)24)19-12-18(28(3,25)26)10-16-11-20(27-21(16)19)15-7-5-4-6-8-15/h4-13H,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469151
PNG
(N-[1-benzyl-6-(1,5-dimethyl-6-oxopyridin-3- yl)ben...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(NS(C)(=O)=O)c2ncn(Cc3ccccc3)c2c1
Show InChI InChI=1S/C22H22N4O3S/c1-15-9-18(13-25(2)22(15)27)17-10-19(24-30(3,28)29)21-20(11-17)26(14-23-21)12-16-7-5-4-6-8-16/h4-11,13-14,24H,12H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469162
PNG
(N-[1-benzyl-6-(1,5-dimethyl-6-oxopyridin-3- yl)ind...)
Show SMILES CCS(=O)(=O)Nc1cc(cc2n(Cc3ccccc3)ncc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C23H24N4O3S/c1-4-31(29,30)25-21-11-18(19-10-16(2)23(28)26(3)15-19)12-22-20(21)13-24-27(22)14-17-8-6-5-7-9-17/h5-13,15,25H,4,14H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469170
PNG
(5-[7-(cyclopropylmethoxy)-4-ethylsulfonyl-2,3- dih...)
Show SMILES CCS(=O)(=O)N1CCOc2cc(OCC3CC3)c(cc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C21H26N2O5S/c1-4-29(25,26)23-7-8-27-20-11-19(28-13-15-5-6-15)17(10-18(20)23)16-9-14(2)21(24)22(3)12-16/h9-12,15H,4-8,13H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469173
PNG
(N-[2-cyclopentyl-7-(2-methyl-1-oxoisoquinolin-4- y...)
Show SMILES CCS(=O)(=O)Nc1cc(-c2cn(C)c(=O)c3ccccc23)c2oc(nc2c1)C1CCCC1
Show InChI InChI=1S/C24H25N3O4S/c1-3-32(29,30)26-16-12-19(20-14-27(2)24(28)18-11-7-6-10-17(18)20)22-21(13-16)25-23(31-22)15-8-4-5-9-15/h6-7,10-15,26H,3-5,8-9H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469179
PNG
(5-[6-(cyclopropylmethoxy)-1-methyl-3- methylsulfon...)
Show SMILES COc1cc(cn(C)c1=O)-c1cc2c(cc1OCC1CC1)N(C)N=S2S(C)(=O)=O
Show InChI InChI=1S/C19H23N3O5S2/c1-21-10-13(7-17(26-3)19(21)23)14-8-18-15(9-16(14)27-11-12-5-6-12)22(2)20-28(18)29(4,24)25/h7-10,12H,5-6,11H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469180
PNG
(N-[6-(1,5-dimethyl-6-oxopyridin-3-yl)-1-[(4- fluor...)
Show SMILES Cc1nc2c(NS(C)(=O)=O)nc(cc2n1Cc1ccc(F)cc1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H22FN5O3S/c1-13-9-16(12-27(3)22(13)29)18-10-19-20(21(25-18)26-32(4,30)31)24-14(2)28(19)11-15-5-7-17(23)8-6-15/h5-10,12H,11H2,1-4H3,(H,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469183
PNG
(5-[2-cyclopropyl-5-(methylsulfonylmethyl)-1,3- ben...)
Show SMILES COc1cc(cn(C)c1=O)-c1cc(CS(C)(=O)=O)cc2nc(oc12)C1CC1
Show InChI InChI=1S/C19H20N2O5S/c1-21-9-13(8-16(25-2)19(21)22)14-6-11(10-27(3,23)24)7-15-17(14)26-18(20-15)12-4-5-12/h6-9,12H,4-5,10H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469188
PNG
(5-(3-benzyl-7-ethylsulfonyl-2- methylbenzimidazol-...)
Show SMILES CCS(=O)(=O)c1cc(cc2n(Cc3ccccc3)c(C)nc12)-c1cc(OC)c(=O)n(C)c1
Show InChI InChI=1S/C24H25N3O4S/c1-5-32(29,30)22-13-18(19-12-21(31-4)24(28)26(3)15-19)11-20-23(22)25-16(2)27(20)14-17-9-7-6-8-10-17/h6-13,15H,5,14H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469197
PNG
(4-[1-(cyclopropylmethyl)-4-methylsulfonylindol- 2-...)
Show SMILES Cn1cc(-c2cc3c(cccc3n2CC2CC2)S(C)(=O)=O)c2ccccc2c1=O
Show InChI InChI=1S/C23H22N2O3S/c1-24-14-19(16-6-3-4-7-17(16)23(24)26)21-12-18-20(25(21)13-15-10-11-15)8-5-9-22(18)29(2,27)28/h3-9,12,14-15H,10-11,13H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469200
PNG
(N-[9-(cyclopropylmethyl)-2-(1,5-dimethyl-6- oxopyr...)
Show SMILES Cc1nc2c(NS(C)(=O)=O)nc(nc2n1CC1CC1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C18H22N6O3S/c1-10-7-13(9-23(3)18(10)25)15-20-16(22-28(4,26)27)14-17(21-15)24(11(2)19-14)8-12-5-6-12/h7,9,12H,5-6,8H2,1-4H3,(H,20,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469206
PNG
(8-[2-(cyclopropylmethoxy)-5- methylsulfonylphenyl]...)
Show SMILES Cc1cc(c2CC(C)(C)Cn2c1=O)-c1cc(ccc1OCC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C22H27NO4S/c1-14-9-17(19-11-22(2,3)13-23(19)21(14)24)18-10-16(28(4,25)26)7-8-20(18)27-12-15-5-6-15/h7-10,15H,5-6,11-13H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469210
PNG
(5-[1-(2-cyclopropylethyl)-4-methylsulfonylindol- 2...)
Show SMILES COc1cc(cn(C)c1=O)-c1cc2c(cccc2n1CCC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C21H24N2O4S/c1-22-13-15(11-19(27-2)21(22)24)18-12-16-17(23(18)10-9-14-7-8-14)5-4-6-20(16)28(3,25)26/h4-6,11-14H,7-10H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469215
PNG
(5-[3-(cyclopropylmethyl)-2-methyl-7- (methylsulfon...)
Show SMILES Cc1nc2c(CS(C)(=O)=O)cc(cc2n1CC1CC1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C21H25N3O3S/c1-13-7-17(11-23(3)21(13)25)16-8-18(12-28(4,26)27)20-19(9-16)24(14(2)22-20)10-15-5-6-15/h7-9,11,15H,5-6,10,12H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469218
PNG
(5-[3-(cyclopropylmethyl)-2-methoxy-7- (methylsulfo...)
Show SMILES COc1nc2c(CS(C)(=O)=O)cc(cc2n1CC1CC1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C21H25N3O4S/c1-13-7-16(11-23(2)20(13)25)15-8-17(12-29(4,26)27)19-18(9-15)24(10-14-5-6-14)21(22-19)28-3/h7-9,11,14H,5-6,10,12H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469084
PNG
(1,3-dimethyl-5-[2-methyl-1,1-dioxo-5-(2,2,2- trifl...)
Show SMILES CN1Cc2cc(OCC(F)(F)F)c(cc2S1(=O)=O)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C17H17F3N2O4S/c1-10-4-11(7-21(2)16(10)23)13-6-15-12(8-22(3)27(15,24)25)5-14(13)26-9-17(18,19)20/h4-7H,8-9H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469091
PNG
(4-[5-(cyclopropylmethoxy)-1-methylsulfonyl-2,3- di...)
Show SMILES Cn1cc(-c2cc3N(CCc3cc2OCC2CC2)S(C)(=O)=O)c2ccccc2c1=O
Show InChI InChI=1S/C23H24N2O4S/c1-24-13-20(17-5-3-4-6-18(17)23(24)26)19-12-21-16(9-10-25(21)30(2,27)28)11-22(19)29-14-15-7-8-15/h3-6,11-13,15H,7-10,14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469112
PNG
(N-[1-benzyl-6-(1,5-dimethyl-6-oxopyridin-3- yl)ind...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(NS(C)(=O)=O)c2ccn(Cc3ccccc3)c2c1
Show InChI InChI=1S/C23H23N3O3S/c1-16-11-19(15-25(2)23(16)27)18-12-21(24-30(3,28)29)20-9-10-26(22(20)13-18)14-17-7-5-4-6-8-17/h4-13,15,24H,14H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469153
PNG
(N-[6-(1,5-dimethyl-6-oxopyridin-3-yl)-1-[(3- fluor...)
Show SMILES CCS(=O)(=O)Nc1cc(cc2n(Cc3cccc(F)c3)cnc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C23H23FN4O3S/c1-4-32(30,31)26-20-10-17(18-8-15(2)23(29)27(3)13-18)11-21-22(20)25-14-28(21)12-16-6-5-7-19(24)9-16/h5-11,13-14,26H,4,12H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469198
PNG
(N-[2-cyclopropyl-7-(2-methyl-1-oxoisoquinolin- 4-y...)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)cc3cc(oc23)C2CC2)c2ccccc2c1=O
Show InChI InChI=1S/C22H20N2O4S/c1-24-12-19(16-5-3-4-6-17(16)22(24)25)18-11-15(23-29(2,26)27)9-14-10-20(13-7-8-13)28-21(14)18/h3-6,9-13,23H,7-8H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469212
PNG
(N-[1-(cyclopropylmethyl)-6-(5-methoxy-1- methyl-6-...)
Show SMILES COc1cc(cn(C)c1=O)-c1cc(NS(C)(=O)=O)c2nc(n(CC3CC3)c2c1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N4O4S/c1-26-10-13(8-16(31-2)18(26)28)12-6-14(25-32(3,29)30)17-15(7-12)27(9-11-4-5-11)19(24-17)20(21,22)23/h6-8,10-11,25H,4-5,9H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM468993
PNG
(4-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-yl)- 2...)
Show SMILES Cn1cc(-c2ccc3CNS(=O)(=O)c3c2)c2ccccc2c1=O
Show InChI InChI=1S/C17H14N2O3S/c1-19-10-15(13-4-2-3-5-14(13)17(19)20)11-6-7-12-9-18-23(21,22)16(12)8-11/h2-8,10,18H,9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.75E+3n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM468985
PNG
(2-methyl-4-(2-methyl-1,1-dioxo-3H-1,2- benzothiazo...)
Show SMILES CN1Cc2ccc(cc2S1(=O)=O)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C18H16N2O3S/c1-19-11-16(14-5-3-4-6-15(14)18(19)21)12-7-8-13-10-20(2)24(22,23)17(13)9-12/h3-9,11H,10H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.75E+3n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

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


(Homo sapiens (Human))
BDBM469208
PNG
(8-[2-(cyclopropylmethoxy)-5- methylsulfonylphenyl]...)
Show SMILES Cc1cc(c2n(CCC2(F)F)c1=O)-c1cc(ccc1OCC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C20H21F2NO4S/c1-12-9-16(18-20(21,22)7-8-23(18)19(12)24)15-10-14(28(2,25)26)5-6-17(15)27-11-13-3-4-13/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.75E+3n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expr...


US Patent US10807982 (2020)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%