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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))		BDBM425127
PNG
(3,5-dimethyl-4-[3-(2- pyrrolidin-1-ylethyl)-1H-ind...)
Show SMILES Cc1noc(C)c1-c1ccc2[nH]cc(CCN3CCCC3)c2c1
Show InChI InChI=1S/C19H23N3O/c1-13-19(14(2)23-21-13)15-5-6-18-17(11-15)16(12-20-18)7-10-22-8-3-4-9-22/h5-6,11-12,20H,3-4,7-10H2,1-2H3
PDB
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UniChem
US Patent
n/an/a 5.50E+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))		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
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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))		BDBM425134
PNG
(3,5-dimethyl-4-(2-methyl-1H- pyrrolo[2,3-b]pyridin...)
Show SMILES Cc1cc2cc(cnc2[nH]1)-c1c(C)noc1C
Show InChI InChI=1S/C13H13N3O/c1-7-4-10-5-11(6-14-13(10)15-7)12-8(2)16-17-9(12)3/h4-6H,1-3H3,(H,14,15)
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n/an/a 5.50E+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))		BDBM425145
PNG
(US10519177, Compound P-0025 | [5-(3,5-dimethylisox...)
Show SMILES COc1ncc(cc1F)C(O)c1c[nH]c2ncc(cc12)-c1c(C)noc1C
PDB
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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))		BDBM425156
PNG
(4-(1-butylsulfonylpyrrolo [3,2-b]pyridin-6-yl)- 3,...)
Show SMILES CCCCS(=O)(=O)n1ccc2ncc(cc12)-c1c(C)noc1C
Show InChI InChI=1S/C16H19N3O3S/c1-4-5-8-23(20,21)19-7-6-14-15(19)9-13(10-17-14)16-11(2)18-22-12(16)3/h6-7,9-10H,4-5,8H2,1-3H3
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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))		BDBM425158
PNG
(4-[1-(benzenesulfonyl) pyrrolo[3,2-b]pyridin- 6-yl...)
Show SMILES Cc1noc(C)c1-c1cnc2ccn(c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H15N3O3S/c1-12-18(13(2)24-20-12)14-10-17-16(19-11-14)8-9-21(17)25(22,23)15-6-4-3-5-7-15/h3-11H,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))		BDBM425162
PNG
((2-chlorophenyl)-[5-(3,5- dimethylisoxazol-4-yl)-2...)
Show SMILES CCc1[nH]c2ncc(cc2c1C(O)c1ccccc1Cl)-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))		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))		BDBM425166
PNG
(3,5-dimethyl-4-[3- [[3-(trifluoromethoxy) phenyl]m...)
Show SMILES Cc1noc(C)c1-c1cnc2[nH]cc(Cc3cccc(OC(F)(F)F)c3)c2c1
Show InChI InChI=1S/C20H16F3N3O2/c1-11-18(12(2)28-26-11)15-8-17-14(9-24-19(17)25-10-15)6-13-4-3-5-16(7-13)27-20(21,22)23/h3-5,7-10H,6H2,1-2H3,(H,24,25)
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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))		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))		BDBM425731
PNG
(4-[6-(3,5-dimethylisoxazol-4-yl)-1- [(6-methoxy-2-...)
Show SMILES COc1cccc(Cn2cc(-c3ccc(cc3)C(O)=O)c3ncc(cc23)-c2c(C)noc2C)n1
Show InChI InChI=1S/C26H22N4O4/c1-15-24(16(2)34-29-15)19-11-22-25(27-12-19)21(17-7-9-18(10-8-17)26(31)32)14-30(22)13-20-5-4-6-23(28-20)33-3/h4-12,14H,13H2,1-3H3,(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))		BDBM425735
PNG
(4-[3-iodo-1-(4- pyridylmethyl)pyrrolo[3,2- b]pyrid...)
Show SMILES Cc1noc(C)c1-c1cnc2c(I)cn(Cc3ccncc3)c2c1
Show InChI InChI=1S/C18H15IN4O/c1-11-17(12(2)24-22-11)14-7-16-18(21-8-14)15(19)10-23(16)9-13-3-5-20-6-4-13/h3-8,10H,9H2,1-2H3
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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))		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))		BDBM425746
PNG
(2-[4-[6-(3,5-dimethylisoxazol-4- yl)-1-[(4-methylt...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(CC3(C)CCOCC3)c2c1)-c1ccc(cc1)C(C)(C)C#N
Show InChI InChI=1S/C29H32N4O2/c1-19-26(20(2)35-32-19)22-14-25-27(31-15-22)24(16-33(25)18-29(5)10-12-34-13-11-29)21-6-8-23(9-7-21)28(3,4)17-30/h6-9,14-16H,10-13,18H2,1-5H3
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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))		BDBM425753
PNG
(4-[6-(3,5-dimethylisoxazol-4-yl)-1- (2-pyridylmeth...)
Show SMILES COc1cc(ccc1C(O)=O)-c1cn(Cc2ccccn2)c2cc(cnc12)-c1c(C)noc1C
Show InChI InChI=1S/C26H22N4O4/c1-15-24(16(2)34-29-15)18-10-22-25(28-12-18)21(14-30(22)13-19-6-4-5-9-27-19)17-7-8-20(26(31)32)23(11-17)33-3/h4-12,14H,13H2,1-3H3,(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 [44-164]


(Homo sapiens (Human))		BDBM425170
PNG
(4-[2-ethyl-3-[[3- (trifluoromethoxy)phenyl] methyl...)
Show SMILES CCc1[nH]c2ncc(cc2c1Cc1cccc(OC(F)(F)F)c1)-c1c(C)noc1C
Show InChI InChI=1S/C22H20F3N3O2/c1-4-19-17(9-14-6-5-7-16(8-14)29-22(23,24)25)18-10-15(11-26-21(18)27-19)20-12(2)28-30-13(20)3/h5-8,10-11H,4,9H2,1-3H3,(H,26,27)
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n/an/a 1.05E+5n/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))		BDBM425175
PNG
(3,5-dimethyl-4-[1-(2- thienylsulfonyl)pyrrolo [3,2...)
Show SMILES Cc1noc(C)c1-c1cnc2ccn(c2c1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C16H13N3O3S2/c1-10-16(11(2)22-18-10)12-8-14-13(17-9-12)5-6-19(14)24(20,21)15-4-3-7-23-15/h3-9H,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))		BDBM425182
PNG
(3,5-dimethyl-4-[1- [(5-methyl-2-thienyl) sulfonyl]...)
Show SMILES Cc1ccc(s1)S(=O)(=O)n1ccc2ncc(cc12)-c1c(C)noc1C
Show InChI InChI=1S/C17H15N3O3S2/c1-10-4-5-16(24-10)25(21,22)20-7-6-14-15(20)8-13(9-18-14)17-11(2)19-23-12(17)3/h4-9H,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))		BDBM425189
PNG
(4-[3-[cyclopropyol(methoxy)methyl]- 1H-pyrrolo[3,2...)
Show SMILES COC(C1CC1)c1c[nH]c2cc(cnc12)-c1c(C)noc1C
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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))		BDBM425198
PNG
(4-[3-[(4,4-difluoro- cyclohexyl)-methoxy- methyl]-...)
Show SMILES CCS(=O)(=O)n1cc(C(OC)C2CCC(F)(F)CC2)c2cc(cnc12)-c1c(C)noc1C
Show InChI InChI=1S/C22H27F2N3O4S/c1-5-32(28,29)27-12-18(20(30-4)15-6-8-22(23,24)9-7-15)17-10-16(11-25-21(17)27)19-13(2)26-31-14(19)3/h10-12,15,20H,5-9H2,1-4H3
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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))		BDBM425216
PNG
(US10519177, Compound P-0094)
Show SMILES Cc1noc(C)c1-c1cnc2n(cc(C(O)C3CCS(=O)(=O)CC3)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H25N3O6S2/c1-15-22(16(2)33-26-15)18-12-20-21(23(28)17-8-10-34(29,30)11-9-17)14-27(24(20)25-13-18)35(31,32)19-6-4-3-5-7-19/h3-7,12-14,17,23,28H,8-11H2,1-2H3
PDB
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n/an/a 5.50E+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))		BDBM425217
PNG
(US10519177, Compound P-0095)
Show SMILES Cc1noc(C)c1-c1cnc2n(cc(C(F)C3CCS(=O)(=O)CC3)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H24FN3O5S2/c1-15-22(16(2)33-27-15)18-12-20-21(23(25)17-8-10-34(29,30)11-9-17)14-28(24(20)26-13-18)35(31,32)19-6-4-3-5-7-19/h3-7,12-14,17,23H,8-11H2,1-2H3
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US Patent
n/an/a 5.50E+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))		BDBM425221
PNG
(4-[[5-(3,5-dimethylisoxazol- 4-yl)-1H-pyrrolo[2,3-...)
Show SMILES Cc1noc(C)c1-c1cnc2[nH]cc(C=C3CCS(=O)(=O)CC3)c2c1 |(-3.39,1.91,;-4.72,1.14,;-6.19,1.62,;-7.09,.37,;-6.19,-.87,;-6.96,-2.21,;-4.72,-.4,;-3.39,-1.17,;-3.39,-2.71,;-2.05,-3.48,;-.72,-2.71,;.74,-3.18,;1.65,-1.94,;.74,-.69,;1.14,.8,;2.63,1.19,;3.72,.1,;5.21,.5,;5.6,1.99,;6,3.48,;7.09,1.59,;4.52,3.08,;3.03,2.68,;-.72,-1.17,;-2.05,-.4,)|
Show InChI InChI=1S/C18H19N3O3S/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/h7-10H,3-6H2,1-2H3,(H,19,20)
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n/an/a 5.50E+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))		BDBM425223
PNG
((4,4- difluorocyclohexyl)- [5-(3,5- dimethylisoxaz...)
Show SMILES Cc1noc(C)c1-c1cnc2n(C)cc(C(O)C3CCC(F)(F)CC3)c2c1
Show InChI InChI=1S/C20H23F2N3O2/c1-11-17(12(2)27-24-11)14-8-15-16(10-25(3)19(15)23-9-14)18(26)13-4-6-20(21,22)7-5-13/h8-10,13,18,26H,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))		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))		BDBM425241
PNG
(1-[4[[5-(3,5- dimethylisoxazol-4-yl)-1- methyl-pyr...)
Show SMILES CC(=O)N1CCC(Cc2cn(C)c3ncc(cc23)-c2c(C)noc2C)CC1
Show InChI InChI=1S/C21H26N4O2/c1-13-20(14(2)27-23-13)17-10-19-18(12-24(4)21(19)22-11-17)9-16-5-7-25(8-6-16)15(3)26/h10-12,16H,5-9H2,1-4H3
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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))		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))		BDBM425256
PNG
(4-[3-[1-(difluoro- methyl)pyrazol-4-yl]- 1-propyls...)
Show SMILES CCCS(=O)(=O)n1cc(-c2cnn(c2)C(F)F)c2ncc(cc12)-c1c(C)noc1C
Show InChI InChI=1S/C19H19F2N5O3S/c1-4-5-30(27,28)26-10-15(14-8-23-25(9-14)19(20)21)18-16(26)6-13(7-22-18)17-11(2)24-29-12(17)3/h6-10,19H,4-5H2,1-3H3
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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))		BDBM425259
PNG
(4-[3-(1-allylpyrazol- 4-yl)-1-sec-butyl- sulfonyl-...)
Show SMILES CCC(C)S(=O)(=O)n1cc(-c2cnn(CC=C)c2)c2ncc(cc12)-c1c(C)noc1C
Show InChI InChI=1S/C22H25N5O3S/c1-6-8-26-12-18(11-24-26)19-13-27(31(28,29)14(3)7-2)20-9-17(10-23-22(19)20)21-15(4)25-30-16(21)5/h6,9-14H,1,7-8H2,2-5H3
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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))		BDBM425265
PNG
(3,5-dimethyl-4-(3- phenylsulfanyl-1H- pyrrolo[2,3-...)
Show SMILES Cc1noc(C)c1-c1cnc2[nH]cc(Sc3ccccc3)c2c1
Show InChI InChI=1S/C18H15N3OS/c1-11-17(12(2)22-21-11)13-8-15-16(10-20-18(15)19-9-13)23-14-6-4-3-5-7-14/h3-10H,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))		BDBM425266
PNG
(4-[3-(benzenesulfonyl)-1H- pyrrolo[2,3-b]pyridin-5...)
Show SMILES Cc1noc(C)c1-c1cnc2[nH]cc(c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H15N3O3S/c1-11-17(12(2)24-21-11)13-8-15-16(10-20-18(15)19-9-13)25(22,23)14-6-4-3-5-7-14/h3-10H,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))		BDBM425272
PNG
(4-[1-cyclopentyl- sulfonyl-3-[1-(2- methoxyethyl)p...)
Show SMILES COCCn1cc(cn1)-c1cn(c2cc(cnc12)-c1c(C)noc1C)S(=O)(=O)C1CCCC1
Show InChI InChI=1S/C23H27N5O4S/c1-15-22(16(2)32-26-15)17-10-21-23(24-11-17)20(18-12-25-27(13-18)8-9-31-3)14-28(21)33(29,30)19-6-4-5-7-19/h10-14,19H,4-9H2,1-3H3
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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))		BDBM425273
PNG
(4-[3-[1-(2-methoxy- ethyl)pyrazol-4-yl]-1- propyls...)
Show SMILES CCCS(=O)(=O)n1cc(-c2cnn(CCOC)c2)c2ncc(cc12)-c1c(C)noc1C
Show InChI InChI=1S/C21H25N5O4S/c1-5-8-31(27,28)26-13-18(17-11-23-25(12-17)6-7-29-4)21-19(26)9-16(10-22-21)20-14(2)24-30-15(20)3/h9-13H,5-8H2,1-4H3
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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))		BDBM425274
PNG
(4-[1-cyclopentyl- sulfonyl-3-(1- tetrahydrofuran-3...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(c2c1)S(=O)(=O)C1CCCC1)-c1cnn(c1)C1CCOC1
Show InChI InChI=1S/C24H27N5O4S/c1-15-23(16(2)33-27-15)17-9-22-24(25-10-17)21(13-29(22)34(30,31)20-5-3-4-6-20)18-11-26-28(12-18)19-7-8-32-14-19/h9-13,19-20H,3-8,14H2,1-2H3
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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))		BDBM425287
PNG
(4-(3-diphenylphosphoryl-1H- pyrrolo[2,3-b]pyridin-...)
Show SMILES Cc1noc(C)c1-c1cnc2[nH]cc(c2c1)P(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20N3O2P/c1-16-23(17(2)29-27-16)18-13-21-22(15-26-24(21)25-14-18)30(28,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15H,1-2H3,(H,25,26)
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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))		BDBM425291
PNG
(3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1- [(2-me...)
Show SMILES Cc1nc(Cn2cc(-c3cnn(C)c3)c3ncc(cc23)-c2c(C)noc2C)cs1
Show InChI InChI=1S/C21H20N6OS/c1-12-20(13(2)28-25-12)15-5-19-21(22-6-15)18(16-7-23-26(4)8-16)10-27(19)9-17-11-29-14(3)24-17/h5-8,10-11H,9H2,1-4H3
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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))		BDBM425300
PNG
(4-[3-(benzenesulfonyl)-1- (oxetan-3-yl)pyrrolo[2,3...)
Show SMILES Cc1noc(C)c1-c1cnc2n(cc(c2c1)S(=O)(=O)c1ccccc1)C1COC1
Show InChI InChI=1S/C21H19N3O4S/c1-13-20(14(2)28-23-13)15-8-18-19(29(25,26)17-6-4-3-5-7-17)10-24(16-11-27-12-16)21(18)22-9-15/h3-10,16H,11-12H2,1-2H3
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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))		BDBM425311
PNG
(4-[1-[(2-chloro-5-fluoro-phenyl)methyl]-3-(1- meth...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(Cc3cc(F)ccc3Cl)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C23H19ClFN5O/c1-13-22(14(2)31-28-13)15-7-21-23(26-8-15)19(17-9-27-29(3)10-17)12-30(21)11-16-6-18(25)4-5-20(16)24/h4-10,12H,11H2,1-3H3
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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))		BDBM425321
PNG
(4-[3-(1-ethylpyrazol-4-yl)- 1-(1-phenylethyl)pyrro...)
Show SMILES CCn1cc(cn1)-c1cn(C(C)c2ccccc2)c2cc(cnc12)-c1c(C)noc1C
Show InChI InChI=1S/C25H25N5O/c1-5-29-14-21(13-27-29)22-15-30(17(3)19-9-7-6-8-10-19)23-11-20(12-26-25(22)23)24-16(2)28-31-18(24)4/h6-15,17H,5H2,1-4H3
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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))		BDBM425326
PNG
(4-[3-(1,3-dimethylpyrazol-4- yl)-1-(1-phenylethyl)...)
Show SMILES CC(c1ccccc1)n1cc(-c2cn(C)nc2C)c2ncc(cc12)-c1c(C)noc1C
Show InChI InChI=1S/C25H25N5O/c1-15-21(13-29(5)27-15)22-14-30(17(3)19-9-7-6-8-10-19)23-11-20(12-26-25(22)23)24-16(2)28-31-18(24)4/h6-14,17H,1-5H3
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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))		BDBM425333
PNG
(US10519177, Compound P-0212)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(CC3(F)CCCCC3)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C23H26FN5O/c1-15-21(16(2)30-27-15)17-9-20-22(25-10-17)19(18-11-26-28(3)12-18)13-29(20)14-23(24)7-5-4-6-8-23/h9-13H,4-8,14H2,1-3H3
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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))		BDBM425334
PNG
(4-[1-[(3,3- difluorocyclobutyl)methyl]-3- (1-methy...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(CC3CC(F)(F)C3)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C21H21F2N5O/c1-12-19(13(2)29-26-12)15-4-18-20(24-7-15)17(16-8-25-27(3)10-16)11-28(18)9-14-5-21(22,23)6-14/h4,7-8,10-11,14H,5-6,9H2,1-3H3
PDB
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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


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))		BDBM425331
PNG
(4-[1-[(4,4- difluorocyclohexyl)methyl]-3- [1-(difl...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(CC3CCC(F)(F)CC3)c2c1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C23H23F4N5O/c1-13-20(14(2)33-30-13)16-7-19-21(28-8-16)18(17-9-29-32(11-17)22(24)25)12-31(19)10-15-3-5-23(26,27)6-4-15/h7-9,11-12,15,22H,3-6,10H2,1-2H3
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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))		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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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 [1-477]


(Homo sapiens (Human))		BDBM425353
PNG
(4-[1-[dideuterio-(3,3- difluorocyclobutyl)methyl]-...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(CC3CC(F)(F)C3)c2c1)-c1cnn(CCF)c1
Show InChI InChI=1S/C22H22F3N5O/c1-13-20(14(2)31-28-13)16-5-19-21(26-8-16)18(17-9-27-30(11-17)4-3-23)12-29(19)10-15-6-22(24,25)7-15/h5,8-9,11-12,15H,3-4,6-7,10H2,1-2H3
PDB

UniProtKB/SwissProt

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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 [44-164]


(Homo sapiens (Human))		BDBM425361
PNG
(3-cyclopentyl-3-[6-(3,5- dimethylisoxazol-4-yl)-3-...)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(C(CC#N)C3CCCC3)c2c1)-c1cnn(CC(F)(F)F)c1
Show InChI InChI=1S/C25H25F3N6O/c1-15-23(16(2)35-32-15)18-9-22-24(30-10-18)20(19-11-31-33(12-19)14-25(26,27)28)13-34(22)21(7-8-29)17-5-3-4-6-17/h9-13,17,21H,3-7,14H2,1-2H3
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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))		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))		BDBM425364
PNG
(4-[3-(4-chlorophenyl)-1-(1- phenylethyl)pyrrolo[3,...)
Show SMILES CC(c1ccccc1)n1cc(-c2ccc(Cl)cc2)c2ncc(cc12)-c1c(C)noc1C
Show InChI InChI=1S/C26H22ClN3O/c1-16-25(18(3)31-29-16)21-13-24-26(28-14-21)23(20-9-11-22(27)12-10-20)15-30(24)17(2)19-7-5-4-6-8-19/h4-15,17H,1-3H3
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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))		BDBM425370
PNG
(4-[3-(2-methoxypyrimidin-5-yl)-1-(1- phenylethyl)p...)
Show SMILES COc1ncc(cn1)-c1cn(C(C)c2ccccc2)c2cc(cnc12)-c1c(C)noc1C
Show InChI InChI=1S/C25H23N5O2/c1-15-23(17(3)32-29-15)19-10-22-24(26-11-19)21(20-12-27-25(31-4)28-13-20)14-30(22)16(2)18-8-6-5-7-9-18/h5-14,16H,1-4H3
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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))		BDBM425371
PNG
(5-[6-(3,5-dimethylisoxazol-4-yl)-1-(1- phenylethyl...)
Show SMILES CC(c1ccccc1)n1cc(-c2ccc(N)nc2)c2ncc(cc12)-c1c(C)noc1C
Show InChI InChI=1S/C25H23N5O/c1-15-24(17(3)31-29-15)20-11-22-25(28-13-20)21(19-9-10-23(26)27-12-19)14-30(22)16(2)18-7-5-4-6-8-18/h4-14,16H,1-3H3,(H2,26,27)
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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
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* indicates data uncertainty>20%