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Patent code US10519177

Compile Data Set for Download or QSAR

Found 802 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425130
PNG
(4-[3-[methoxy-[6-(trifluoromethyl)- 3-pyridyl]meth...)
Show SMILES COC(c1c[nH]c2ncc(cc12)-c1c(C)noc1C)c1ccc(nc1)C(F)(F)F
PDB
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US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425138
PNG
(US10519177, Compound P-0020)
Show SMILES COC(c1c[nH]c2ncc(cc12)-c1c(C)noc1C)c1ccccc1Cl
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Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425163
PNG
(US10519177, Compound P-0043 | [5-(3,5-dimethylisox...)
Show SMILES CCc1[nH]c2ncc(cc2c1C(O)c1cccc(OC(F)(F)F)c1)-c1c(C)noc1C
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n/an/a<1.00E+3n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425167
PNG
(4-[3-[[2-(difluoro- methoxy)phenyl]methyl]- 1H-pyr...)
Show SMILES Cc1noc(C)c1-c1cnc2[nH]cc(Cc3ccccc3OC(F)F)c2c1
Show InChI InChI=1S/C20H17F2N3O2/c1-11-18(12(2)27-25-11)15-8-16-14(9-23-19(16)24-10-15)7-13-5-3-4-6-17(13)26-20(21)22/h3-6,8-10,20H,7H2,1-2H3,(H,23,24)
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Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425729
PNG
(4-[3-iodo-1-[(6-methoxy-2- pyridyl)methyl]pyrrolo[...)
Show SMILES COc1cccc(Cn2cc(I)c3ncc(cc23)-c2c(C)noc2C)n1
Show InChI InChI=1S/C19H17IN4O2/c1-11-18(12(2)26-23-11)13-7-16-19(21-8-13)15(20)10-24(16)9-14-5-4-6-17(22-14)25-3/h4-8,10H,9H2,1-3H3
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Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425734
PNG
(4-[6-(3,5-dimethylisoxazol-4-yl)-1- [(2- methoxyph...)
Show SMILES COc1ccccc1Cn1cc(-c2ccc(cc2)C(O)=O)c2ncc(cc12)-c1c(C)noc1C
Show InChI InChI=1S/C27H23N3O4/c1-16-25(17(2)34-29-16)21-12-23-26(28-13-21)22(18-8-10-19(11-9-18)27(31)32)15-30(23)14-20-6-4-5-7-24(20)33-3/h4-13,15H,14H2,1-3H3,(H,31,32)
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Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425738
PNG
(4-[6-(3,5-dimethylisoxazol-4-yl)-1- [(1S)-1-(2- py...)
Show SMILES COc1cc(ccc1C(O)=O)-c1cn([C@@H](C)c2ccccn2)c2cc(cnc12)-c1c(C)noc1C |r|
Show InChI InChI=1S/C27H24N4O4/c1-15-25(17(3)35-30-15)19-11-23-26(29-13-19)21(14-31(23)16(2)22-7-5-6-10-28-22)18-8-9-20(27(32)33)24(12-18)34-4/h5-14,16H,1-4H3,(H,32,33)/t16-/m0/s1
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Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425742
PNG
(US10519177, Compound P-0942 | methyl 1-[4-[6-(3,5-...)
Show SMILES COC(=O)C1(CC1)c1ccc(cc1)-c1cn([C@@H](C)c2ccccn2)c2cc(cnc12)-c1c(C)noc1C |r|
Show InChI InChI=1S/C30H28N4O3/c1-18-27(20(3)37-33-18)22-15-26-28(32-16-22)24(17-34(26)19(2)25-7-5-6-14-31-25)21-8-10-23(11-9-21)30(12-13-30)29(35)36-4/h5-11,14-17,19H,12-13H2,1-4H3/t19-/m0/s1
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Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425743
PNG
(1-[4-[6-(3,5-dimethylisoxazol-4- yl)-1-[(4-methylt...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(CC3(C)CCOCC3)c2c1)-c1ccc(cc1)C1(CC1)C(O)=O
Show InChI InChI=1S/C29H31N3O4/c1-18-25(19(2)36-31-18)21-14-24-26(30-15-21)23(16-32(24)17-28(3)10-12-35-13-11-28)20-4-6-22(7-5-20)29(8-9-29)27(33)34/h4-7,14-16H,8-13,17H2,1-3H3,(H,33,34)
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Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425748
PNG
(US10519177, Compound P-0948 | methyl 4-[6-(3,5-dim...)
Show SMILES COC(=O)c1ccc(cc1)-c1cn(Cc2ncccc2F)c2cc(cnc12)-c1c(C)noc1C
Show InChI InChI=1S/C26H21FN4O3/c1-15-24(16(2)34-30-15)19-11-23-25(29-12-19)20(17-6-8-18(9-7-17)26(32)33-3)13-31(23)14-22-21(27)5-4-10-28-22/h4-13H,14H2,1-3H3
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Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425752
PNG
(US10519177, Compound P-0952 | methyl 1-[4-[6-(3,5-...)
Show SMILES COC(=O)C1(CC1)c1ccc(cc1)-c1cn(Cc2ccccn2)c2cc(cnc12)-c1c(C)noc1C
Show InChI InChI=1S/C29H26N4O3/c1-18-26(19(2)36-32-18)21-14-25-27(31-15-21)24(17-33(25)16-23-6-4-5-13-30-23)20-7-9-22(10-8-20)29(11-12-29)28(34)35-3/h4-10,13-15,17H,11-12,16H2,1-3H3
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Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425768
PNG
(US10519177, Compound P-0968 | methyl 1-[4-[6-(3,5-...)
Show SMILES CC[C@@H](c1ccccn1)n1cc(-c2ccc(cc2)C2(CC2)C(=O)OC)c2ncc(cc12)-c1c(C)noc1C |r|
Show InChI InChI=1S/C31H30N4O3/c1-5-26(25-8-6-7-15-32-25)35-18-24(21-9-11-23(12-10-21)31(13-14-31)30(36)37-4)29-27(35)16-22(17-33-29)28-19(2)34-38-20(28)3/h6-12,15-18,26H,5,13-14H2,1-4H3/t26-/m0/s1
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Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425199
PNG
(US10519177, Compound P-0079)
Show SMILES Cc1noc(C)c1-c1cnc2n(C)cc(CC3CCC(F)(F)CC3)c2c1
Show InChI InChI=1S/C20H23F2N3O/c1-12-18(13(2)26-24-12)15-9-17-16(11-25(3)19(17)23-10-15)8-14-4-6-20(21,22)7-5-14/h9-11,14H,4-8H2,1-3H3
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Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425220
PNG
(US10519177, Compound P-0098)
Show SMILES Cc1noc(C)c1-c1cnc2[nH]cc(CC3CCS(=O)(=O)CC3)c2c1
Show InChI InChI=1S/C18H21N3O3S/c1-11-17(12(2)24-21-11)15-8-16-14(9-19-18(16)20-10-15)7-13-3-5-25(22,23)6-4-13/h8-10,13H,3-7H2,1-2H3,(H,19,20)
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Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425229
PNG
(US10519177, Compound P-0108)
Show SMILES CCCCC(C1CCC(F)(F)CC1)C1=CC(C)c2ncc(cc12)-c1c(C)noc1C |t:14|
Show InChI InChI=1S/C25H32F2N2O/c1-5-6-7-20(18-8-10-25(26,27)11-9-18)21-12-15(2)24-22(21)13-19(14-28-24)23-16(3)29-30-17(23)4/h12-15,18,20H,5-11H2,1-4H3
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Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425231
PNG
(4-[1-(benzenesulfonyl)-3-(1- methylpyrazol-4-yl)py...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(c2c1)S(=O)(=O)c1ccccc1)-c1cnn(C)c1
Show InChI InChI=1S/C22H19N5O3S/c1-14-21(15(2)30-25-14)16-9-20-22(23-10-16)19(17-11-24-26(3)12-17)13-27(20)31(28,29)18-7-5-4-6-8-18/h4-13H,1-3H3
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Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425242
PNG
(4-[1-(2-fluorophenyl) sulfonyl-3-(1-methyl- pyrazo...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(c2c1)S(=O)(=O)c1ccccc1F)-c1cnn(C)c1
Show InChI InChI=1S/C22H18FN5O3S/c1-13-21(14(2)31-26-13)15-8-19-22(24-9-15)17(16-10-25-27(3)11-16)12-28(19)32(29,30)20-7-5-4-6-18(20)23/h4-12H,1-3H3
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Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425254
PNG
(4-[1-cyclopentylsulfonyl- 3-[1-(difluoromethyl) py...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(c2c1)S(=O)(=O)C1CCCC1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C21H21F2N5O3S/c1-12-19(13(2)31-26-12)14-7-18-20(24-8-14)17(15-9-25-27(10-15)21(22)23)11-28(18)32(29,30)16-5-3-4-6-16/h7-11,16,21H,3-6H2,1-2H3
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Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425284
PNG
(4-[1-(benzenesulfonyl)-3- (1H-pyrazol-4-yl)pyrrolo...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(c2c1)S(=O)(=O)c1ccccc1)-c1cn[nH]c1
Show InChI InChI=1S/C21H17N5O3S/c1-13-20(14(2)29-25-13)15-8-19-21(22-9-15)18(16-10-23-24-11-16)12-26(19)30(27,28)17-6-4-3-5-7-17/h3-12H,1-2H3,(H,23,24)
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Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425293
PNG
(4-[1-[(2-fluorophenyl)methyl]-3-(1- methylpyrazol-...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(Cc3ccccc3F)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C23H20FN5O/c1-14-22(15(2)30-27-14)17-8-21-23(25-9-17)19(18-10-26-28(3)11-18)13-29(21)12-16-6-4-5-7-20(16)24/h4-11,13H,12H2,1-3H3
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Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425317
PNG
(3-cyclopentyl-3-[6-(3,5- dimethylisoxazol-4- yl)py...)
Show SMILES Cc1noc(C)c1-c1cnc2ccn(C(CC#N)C3CCCC3)c2c1
Show InChI InChI=1S/C20H22N4O/c1-13-20(14(2)25-23-13)16-11-19-17(22-12-16)8-10-24(19)18(7-9-21)15-5-3-4-6-15/h8,10-12,15,18H,3-7H2,1-2H3
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Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425318
PNG
(US10519177, Compound P-0197)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(C(CC#N)C3CCCC3)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C24H26N6O/c1-15-23(16(2)31-28-15)18-10-22-24(26-11-18)20(19-12-27-29(3)13-19)14-30(22)21(8-9-25)17-6-4-5-7-17/h10-14,17,21H,4-8H2,1-3H3
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Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425329
PNG
(US10519177, Compound P-0208)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(C(=O)C3CCC(F)(F)CC3)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C23H23F2N5O2/c1-13-20(14(2)32-28-13)16-8-19-21(26-9-16)18(17-10-27-29(3)11-17)12-30(19)22(31)15-4-6-23(24,25)7-5-15/h8-12,15H,4-7H2,1-3H3
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Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425341
PNG
(4-[3-(1-cyclopropylpyrazol- 4-yl)-1-[dideuterio-(4...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(CC3CCC(F)(F)CC3)c2c1)-c1cnn(c1)C1CC1
Show InChI InChI=1S/C25H27F2N5O/c1-15-23(16(2)33-30-15)18-9-22-24(28-10-18)21(19-11-29-32(13-19)20-3-4-20)14-31(22)12-17-5-7-25(26,27)8-6-17/h9-11,13-14,17,20H,3-8,12H2,1-2H3
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Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425342
PNG
(4-[1-[dideuterio-(4,4- difluorocyclohexyl)methyl]-...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(CC3CCC(F)(F)CC3)c2c1)-c1cnn(CC(F)(F)F)c1
Show InChI InChI=1S/C24H24F5N5O/c1-14-21(15(2)35-32-14)17-7-20-22(30-8-17)19(18-9-31-34(11-18)13-24(27,28)29)12-33(20)10-16-3-5-23(25,26)6-4-16/h7-9,11-12,16H,3-6,10,13H2,1-2H3
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Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425347
PNG
(3-cyclopentyl-3-[3-[1- (difluoromethyl)pyrazol-4-y...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(C(CC#N)C3CCCC3)c2c1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C24H24F2N6O/c1-14-22(15(2)33-30-14)17-9-21-23(28-10-17)19(18-11-29-32(12-18)24(25)26)13-31(21)20(7-8-27)16-5-3-4-6-16/h9-13,16,20,24H,3-7H2,1-2H3
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Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425362
PNG
(3,5-dimethyl-4-[1-(1-phenylethyl)-3- (3-pyridyl)py...)
Show SMILES CC(c1ccccc1)n1cc(-c2cccnc2)c2ncc(cc12)-c1c(C)noc1C
Show InChI InChI=1S/C25H22N4O/c1-16-24(18(3)30-28-16)21-12-23-25(27-14-21)22(20-10-7-11-26-13-20)15-29(23)17(2)19-8-5-4-6-9-19/h4-15,17H,1-3H3
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Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425362
PNG
(3,5-dimethyl-4-[1-(1-phenylethyl)-3- (3-pyridyl)py...)
Show SMILES CC(c1ccccc1)n1cc(-c2cccnc2)c2ncc(cc12)-c1c(C)noc1C
Show InChI InChI=1S/C25H22N4O/c1-16-24(18(3)30-28-16)21-12-23-25(27-14-21)22(20-10-7-11-26-13-20)15-29(23)17(2)19-8-5-4-6-9-19/h4-15,17H,1-3H3
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Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425367
PNG
(3,5-dimethyl-4-[3-(6-methyl-3- pyridyl)-1-(1-pheny...)
Show SMILES CC(c1ccccc1)n1cc(-c2ccc(C)nc2)c2ncc(cc12)-c1c(C)noc1C
Show InChI InChI=1S/C26H24N4O/c1-16-10-11-21(13-27-16)23-15-30(18(3)20-8-6-5-7-9-20)24-12-22(14-28-26(23)24)25-17(2)29-31-19(25)4/h5-15,18H,1-4H3
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Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425372
PNG
(5-[6-(3,5-dimethylisoxazol-4-yl)-1-(1- phenylethyl...)
Show SMILES CC(c1ccccc1)n1cc(-c2cnc(N)nc2)c2ncc(cc12)-c1c(C)noc1C
Show InChI InChI=1S/C24H22N6O/c1-14-22(16(3)31-29-14)18-9-21-23(26-10-18)20(19-11-27-24(25)28-12-19)13-30(21)15(2)17-7-5-4-6-8-17/h4-13,15H,1-3H3,(H2,25,27,28)
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Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425383
PNG
(2-[6-(3,5-dimethylisoxazol-4-yl)-1-(1- phenylethyl...)
Show SMILES CC(c1ccccc1)n1cc(C#C[Si](C)(C)C)c2ncc(cc12)-c1c(C)noc1C
Show InChI InChI=1S/C25H27N3OSi/c1-17-24(19(3)29-27-17)22-14-23-25(26-15-22)21(12-13-30(4,5)6)16-28(23)18(2)20-10-8-7-9-11-20/h7-11,14-16,18H,1-6H3
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Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425392
PNG
(4-[1-[(4,4-difluorocyclohexyl)methyl]- 3-(1-isobut...)
Show SMILES CC(C)Cn1cc(cn1)-c1cn(CC2CCC(F)(F)CC2)c2cc(cnc12)-c1c(C)noc1C
Show InChI InChI=1S/C26H31F2N5O/c1-16(2)12-33-14-21(11-30-33)22-15-32(13-19-5-7-26(27,28)8-6-19)23-9-20(10-29-25(22)23)24-17(3)31-34-18(24)4/h9-11,14-16,19H,5-8,12-13H2,1-4H3
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Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425393
PNG
(3-[4-[1-[(4,4- difluorocyclohexyl)methyl]-6-(3,5- ...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(CC3CCC(F)(F)CC3)c2c1)-c1cnn(CCC#N)c1
Show InChI InChI=1S/C25H26F2N6O/c1-16-23(17(2)34-31-16)19-10-22-24(29-11-19)21(20-12-30-33(14-20)9-3-8-28)15-32(22)13-18-4-6-25(26,27)7-5-18/h10-12,14-15,18H,3-7,9,13H2,1-2H3
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Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425351
PNG
(4-[1-[dideuterio-(3,3- difluorocyclobutyl)methyl]-...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(CC3CC(F)(F)C3)c2c1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C21H19F4N5O/c1-11-18(12(2)31-28-11)14-3-17-19(26-6-14)16(15-7-27-30(9-15)20(22)23)10-29(17)8-13-4-21(24,25)5-13/h3,6-7,9-10,13,20H,4-5,8H2,1-2H3
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Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425351
PNG
(4-[1-[dideuterio-(3,3- difluorocyclobutyl)methyl]-...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(CC3CC(F)(F)C3)c2c1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C21H19F4N5O/c1-11-18(12(2)31-28-11)14-3-17-19(26-6-14)16(15-7-27-30(9-15)20(22)23)10-29(17)8-13-4-21(24,25)5-13/h3,6-7,9-10,13,20H,4-5,8H2,1-2H3
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Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425352
PNG
(4-[1-[dideuterio-(3,3- difluorocyclobutyl)methyl]-...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(CC3CC(F)(F)C3)c2c1)-c1cnn(CC(F)(F)F)c1
Show InChI InChI=1S/C22H20F5N5O/c1-12-19(13(2)33-30-12)15-3-18-20(28-6-15)17(10-31(18)8-14-4-21(23,24)5-14)16-7-29-32(9-16)11-22(25,26)27/h3,6-7,9-10,14H,4-5,8,11H2,1-2H3
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Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425402
PNG
(3-[3-chloro-6-(3,5-dimethylisoxazol-4- yl)pyrrolo[...)
Show SMILES Cc1noc(C)c1-c1cnc2c(Cl)cn(C(CC#N)C3CC3)c2c1
Show InChI InChI=1S/C18H17ClN4O/c1-10-17(11(2)24-22-10)13-7-16-18(21-8-13)14(19)9-23(16)15(5-6-20)12-3-4-12/h7-9,12,15H,3-5H2,1-2H3
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Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425402
PNG
(3-[3-chloro-6-(3,5-dimethylisoxazol-4- yl)pyrrolo[...)
Show SMILES Cc1noc(C)c1-c1cnc2c(Cl)cn(C(CC#N)C3CC3)c2c1
Show InChI InChI=1S/C18H17ClN4O/c1-10-17(11(2)24-22-10)13-7-16-18(21-8-13)14(19)9-23(16)15(5-6-20)12-3-4-12/h7-9,12,15H,3-5H2,1-2H3
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Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425406
PNG
(1-[(4,4-difluorocyclohexyl)methyl]-6- (3,5-dimethy...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(cn(CC3CCC(F)(F)CC3)c2c1)-c1cnn(CC(F)(F)F)c1
Show InChI InChI=1S/C23H24F5N7/c1-14-21(33(2)32-31-14)16-7-19-20(29-8-16)18(17-9-30-35(11-17)13-23(26,27)28)12-34(19)10-15-3-5-22(24,25)6-4-15/h7-9,11-12,15H,3-6,10,13H2,1-2H3
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Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425779
PNG
(N-[4-[6-(3,5-dimethylisoxazol-4- yl)-1-[(1S)-1-(2-...)
Show SMILES C[C@@H](c1ccccn1)n1cc(-c2ccc(NS(C)(=O)=O)cc2)c2ncc(cc12)-c1c(C)noc1C |r|
Show InChI InChI=1S/C26H25N5O3S/c1-16-25(18(3)34-29-16)20-13-24-26(28-14-20)22(15-31(24)17(2)23-7-5-6-12-27-23)19-8-10-21(11-9-19)30-35(4,32)33/h5-15,17,30H,1-4H3/t17-/m0/s1
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Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425644
PNG
(1-[4-[6-(3,5-dimethylisoxazol-4-yl)-1- [(1S)-1-(2-...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1cn([C@@H](C)c2ccccn2)c2cc(cnc12)-c1c(C)noc1C |r|
Show InChI InChI=1S/C27H26N6O2/c1-16-25(18(3)35-32-16)20-13-24-26(30-14-20)22(15-33(24)17(2)23-7-5-6-12-29-23)19-8-10-21(11-9-19)31-27(34)28-4/h5-15,17H,1-4H3,(H2,28,31,34)/t17-/m0/s1
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Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425784
PNG
(N-[4-[6-(3,5-dimethylisoxazol-4- yl)-1-[(1S)-1-(2-...)
Show SMILES C[C@@H](c1ccccn1)n1cc(-c2ccc(NC(C)=O)cc2)c2ncc(cc12)-c1c(C)noc1C |r|
Show InChI InChI=1S/C27H25N5O2/c1-16-26(18(3)34-31-16)21-13-25-27(29-14-21)23(20-8-10-22(11-9-20)30-19(4)33)15-32(25)17(2)24-7-5-6-12-28-24/h5-15,17H,1-4H3,(H,30,33)/t17-/m0/s1
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Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425796
PNG
(2-[4-[1-[cyclopentyl(2- pyridyl)methyl]-6-(3,5- di...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(C(C3CCCC3)c3ccccn3)c2c1)-c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C31H30N4O3/c1-19-29(20(2)38-34-19)24-16-27-30(33-17-24)25(22-12-10-21(11-13-22)15-28(36)37)18-35(27)31(23-7-3-4-8-23)26-9-5-6-14-32-26/h5-6,9-14,16-18,23,31H,3-4,7-8,15H2,1-2H3,(H,36,37)
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UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425811
PNG
(US10519177, Compound P-1011 | methyl 4-[1-[cyclobu...)
Show SMILES COC(=O)c1ccc(cc1)-c1cn(C(C2CCC2)c2ccccn2)c2cc(cnc12)-c1c(C)noc1C
Show InChI InChI=1S/C30H28N4O3/c1-18-27(19(2)37-33-18)23-15-26-28(32-16-23)24(20-10-12-22(13-11-20)30(35)36-3)17-34(26)29(21-7-6-8-21)25-9-4-5-14-31-25/h4-5,9-17,21,29H,6-8H2,1-3H3
PDB

UniProtKB/SwissProt

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US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425412
PNG
(4-[1-benzyl-3-[1-(2,2,2- trifluoroethyl)pyrazol-4-...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(Cc3ccccc3)c2c1)-c1cnn(CC(F)(F)F)c1
Show InChI InChI=1S/C24H20F3N5O/c1-15-22(16(2)33-30-15)18-8-21-23(28-9-18)20(13-31(21)11-17-6-4-3-5-7-17)19-10-29-32(12-19)14-24(25,26)27/h3-10,12-13H,11,14H2,1-2H3
PDB
MMDB

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UniProtKB/SwissProt

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US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425412
PNG
(4-[1-benzyl-3-[1-(2,2,2- trifluoroethyl)pyrazol-4-...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(Cc3ccccc3)c2c1)-c1cnn(CC(F)(F)F)c1
Show InChI InChI=1S/C24H20F3N5O/c1-15-22(16(2)33-30-15)18-8-21-23(28-9-18)20(13-31(21)11-17-6-4-3-5-7-17)19-10-29-32(12-19)14-24(25,26)27/h3-10,12-13H,11,14H2,1-2H3
PDB

UniProtKB/SwissProt

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n/an/a<1.00E+3n/an/an/an/an/an/a



Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425416
PNG
(3,5-dimethyl-4-(1-[(1,4,4- trifluorocyclohexyl)met...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(CC3(F)CCC(F)(F)CC3)c2c1)-c1cnn(CC(F)(F)F)c1
Show InChI InChI=1S/C24H23F6N5O/c1-14-20(15(2)36-33-14)16-7-19-21(31-8-16)18(17-9-32-35(10-17)13-24(28,29)30)11-34(19)12-22(25)3-5-23(26,27)6-4-22/h7-11H,3-6,12-13H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-164]


(Homo sapiens (Human))
BDBM425419
PNG
(4-[1-[(4,4-difluorocyclohexyl)methyl]- 6-(3,5-dime...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(CC3CCC(F)(F)CC3)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H25F2N3O3/c1-15-23(16(2)34-30-15)20-11-22-24(29-12-20)21(18-3-5-19(6-4-18)25(32)33)14-31(22)13-17-7-9-26(27,28)10-8-17/h3-6,11-12,14,17H,7-10,13H2,1-2H3,(H,32,33)
PDB
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UniProtKB/SwissProt

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n/an/a<1.00E+3n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...


US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425419
PNG
(4-[1-[(4,4-difluorocyclohexyl)methyl]- 6-(3,5-dime...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(CC3CCC(F)(F)CC3)c2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H25F2N3O3/c1-15-23(16(2)34-30-15)20-11-22-24(29-12-20)21(18-3-5-19(6-4-18)25(32)33)14-31(22)13-17-7-9-26(27,28)10-8-17/h3-6,11-12,14,17H,7-10,13H2,1-2H3,(H,32,33)
PDB

UniProtKB/SwissProt

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UniChem
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n/an/a<1.00E+3n/an/an/an/an/an/a



Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]


(Homo sapiens (Human))
BDBM425420
PNG
(3,5-dimethyl-4-[3-(1-methylpyrazol-4- yl)-1-(pyrim...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(Cc3ncccn3)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C21H19N7O/c1-13-20(14(2)29-26-13)15-7-18-21(24-8-15)17(16-9-25-27(3)10-16)11-28(18)12-19-22-5-4-6-23-19/h4-11H,12H2,1-3H3
PDB

UniProtKB/SwissProt

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UniChem
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n/an/a<1.00E+3n/an/an/an/an/an/a



Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%