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10 similar compounds to monomer 50178219

Compile data set for download or QSAR
Wt: 176.2
BDBM50178217
Wt: 346.4
BDBM50178220
Wt: 331.3
BDBM50178221
Wt: 592.6
BDBM50178223
Wt: 551.6
BDBM50178224
Wt: 634.6
BDBM50178225
Wt: 524.6
BDBM50178226
Wt: 608.6
BDBM50178227
Wt: 507.6
BDBM50178228
Wt: 607.7
BDBM50178231

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50178217,50178220,50178221,50178223,50178224,50178225,50178226,50178227,50178228,50178231   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50178217
PNG
(CHEMBL2142704)
Show SMILES CC1CC(=O)Nc2ccccc2N1
Show InChI InChI=1/C10H12N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7,11H,6H2,1H3,(H,12,13)
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n/an/a 2.20E+5n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM50178220
PNG
(CHEMBL3814550 | US10206931, Example 57)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(C5CC5)c4c3)c2N1
Show InChI InChI=1/C21H22N4O/c1-12-10-19(26)23-17-5-3-4-15(21(17)22-12)14-8-9-18-16(11-14)20(13-6-7-13)24-25(18)2/h3-5,8-9,11-13,22H,6-7,10H2,1-2H3,(H,23,26)/t12-/s2
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US Patent
n/an/a 4.03E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US10206931 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50178220
PNG
(CHEMBL3814550 | US10206931, Example 57)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(C5CC5)c4c3)c2N1
Show InChI InChI=1/C21H22N4O/c1-12-10-19(26)23-17-5-3-4-15(21(17)22-12)14-8-9-18-16(11-14)20(13-6-7-13)24-25(18)2/h3-5,8-9,11-13,22H,6-7,10H2,1-2H3,(H,23,26)/t12-/s2
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n/an/an/an/a 3.00E+3n/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Halo-tagged histone H3.3 binding to CBP (unknown origin) expressed in HEK293 cells after overnight incubation by luciferase reporter ge...


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50178221
PNG
(CHEMBL3814602)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(C#N)c4c3)c2N1
Show InChI InChI=1/C19H17N5O/c1-11-8-18(25)22-15-5-3-4-13(19(15)21-11)12-6-7-17-14(9-12)16(10-20)23-24(17)2/h3-7,9,11,21H,8H2,1-2H3,(H,22,25)/t11-/s2
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n/an/an/an/a 7.00E+3n/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Halo-tagged histone H3.3 binding to CBP (unknown origin) expressed in HEK293 cells after overnight incubation by luciferase reporter ge...


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50178220
PNG
(CHEMBL3814550 | US10206931, Example 57)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(C5CC5)c4c3)c2N1
Show InChI InChI=1/C21H22N4O/c1-12-10-19(26)23-17-5-3-4-15(21(17)22-12)14-8-9-18-16(11-14)20(13-6-7-13)24-25(18)2/h3-5,8-9,11-13,22H,6-7,10H2,1-2H3,(H,23,26)/t12-/s2
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n/an/a 8.90E+3n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50178221
PNG
(CHEMBL3814602)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(C#N)c4c3)c2N1
Show InChI InChI=1/C19H17N5O/c1-11-8-18(25)22-15-5-3-4-13(19(15)21-11)12-6-7-17-14(9-12)16(10-20)23-24(17)2/h3-7,9,11,21H,8H2,1-2H3,(H,22,25)/t11-/s2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50178223
PNG
(CHEMBL3813810)
Show SMILES Oc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4cccc(OC(F)(F)F)c4)s3)s2)cc1
Show InChI InChI=1S/C25H23F3N6O4S2/c26-25(27,28)38-18-5-3-4-16(12-18)14-20(37)30-24-34-32-22(40-24)7-2-1-6-21-31-33-23(39-21)29-19(36)13-15-8-10-17(35)11-9-15/h3-5,8-12,35H,1-2,6-7,13-14H2,(H,29,33,36)(H,30,34,37)
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n/an/a 510n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney type glutaminase (124 to 669 residues) using L-[3H]-glutamine as substrate after 45 mins by topcount method


ACS Med Chem Lett 7: 520-4 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00060
BindingDB Entry DOI: 10.7270/Q2VQ34MG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50178224
PNG
(CHEMBL3814214)
Show SMILES CC(=O)Oc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4cccnc4)s3)s2)cc1
Show InChI InChI=1S/C25H25N7O4S2/c1-16(33)36-19-10-8-17(9-11-19)13-20(34)27-24-31-29-22(37-24)6-2-3-7-23-30-32-25(38-23)28-21(35)14-18-5-4-12-26-15-18/h4-5,8-12,15H,2-3,6-7,13-14H2,1H3,(H,27,31,34)(H,28,32,35)
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n/an/a 120n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney type glutaminase (124 to 669 residues) using L-[3H]-glutamine as substrate after 45 mins by topcount method


ACS Med Chem Lett 7: 520-4 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00060
BindingDB Entry DOI: 10.7270/Q2VQ34MG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50178225
PNG
(CHEMBL3814388)
Show SMILES CC(=O)Oc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4cccc(OC(F)(F)F)c4)s3)s2)cc1
Show InChI InChI=1S/C27H25F3N6O5S2/c1-16(37)40-19-11-9-17(10-12-19)14-21(38)31-25-35-33-23(42-25)7-2-3-8-24-34-36-26(43-24)32-22(39)15-18-5-4-6-20(13-18)41-27(28,29)30/h4-6,9-13H,2-3,7-8,14-15H2,1H3,(H,31,35,38)(H,32,36,39)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney type glutaminase (124 to 669 residues) using L-[3H]-glutamine as substrate after 45 mins by topcount method


ACS Med Chem Lett 7: 520-4 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00060
BindingDB Entry DOI: 10.7270/Q2VQ34MG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50178226
PNG
(CHEMBL3813967)
Show SMILES Oc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccc(O)cc4)s3)s2)cc1
Show InChI InChI=1S/C24H24N6O4S2/c31-17-9-5-15(6-10-17)13-19(33)25-23-29-27-21(35-23)3-1-2-4-22-28-30-24(36-22)26-20(34)14-16-7-11-18(32)12-8-16/h5-12,31-32H,1-4,13-14H2,(H,25,29,33)(H,26,30,34)
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n/an/a 120n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney type glutaminase (124 to 669 residues) using L-[3H]-glutamine as substrate after 45 mins by topcount method


ACS Med Chem Lett 7: 520-4 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00060
BindingDB Entry DOI: 10.7270/Q2VQ34MG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50178227
PNG
(CHEMBL3814427)
Show SMILES CC(=O)Oc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccc(OC(C)=O)cc4)s3)s2)cc1
Show InChI InChI=1S/C28H28N6O6S2/c1-17(35)39-21-11-7-19(8-12-21)15-23(37)29-27-33-31-25(41-27)5-3-4-6-26-32-34-28(42-26)30-24(38)16-20-9-13-22(14-10-20)40-18(2)36/h7-14H,3-6,15-16H2,1-2H3,(H,29,33,37)(H,30,34,38)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney type glutaminase (124 to 669 residues) using L-[3H]-glutamine as substrate after 45 mins by topcount method


ACS Med Chem Lett 7: 520-4 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00060
BindingDB Entry DOI: 10.7270/Q2VQ34MG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50178228
PNG
(CHEMBL3814255)
Show SMILES Nc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)cc1
Show InChI InChI=1S/C24H25N7O2S2/c25-18-12-10-17(11-13-18)15-20(33)27-24-31-29-22(35-24)9-5-4-8-21-28-30-23(34-21)26-19(32)14-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,14-15,25H2,(H,26,30,32)(H,27,31,33)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney type glutaminase (124 to 669 residues) using L-[3H]-glutamine as substrate after 45 mins by topcount method


ACS Med Chem Lett 7: 520-4 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00060
BindingDB Entry DOI: 10.7270/Q2VQ34MG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50178231
PNG
(CHEMBL3815103)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)cc1
Show InChI InChI=1S/C29H33N7O4S2/c1-29(2,3)40-28(39)30-21-15-13-20(14-16-21)18-23(38)32-27-36-34-25(42-27)12-8-7-11-24-33-35-26(41-24)31-22(37)17-19-9-5-4-6-10-19/h4-6,9-10,13-16H,7-8,11-12,17-18H2,1-3H3,(H,30,39)(H,31,35,37)(H,32,36,38)
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n/an/a 450n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human kidney type glutaminase (124 to 669 residues) using L-[3H]-glutamine as substrate after 45 mins by topcount method


ACS Med Chem Lett 7: 520-4 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00060
BindingDB Entry DOI: 10.7270/Q2VQ34MG
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50178220
PNG
(CHEMBL3814550 | US10206931, Example 57)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(C5CC5)c4c3)c2N1
Show InChI InChI=1/C21H22N4O/c1-12-10-19(26)23-17-5-3-4-15(21(17)22-12)14-8-9-18-16(11-14)20(13-6-7-13)24-25(18)2/h3-5,8-9,11-13,22H,6-7,10H2,1-2H3,(H,23,26)/t12-/s2
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n/an/a 33n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50178221
PNG
(CHEMBL3814602)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(C#N)c4c3)c2N1
Show InChI InChI=1/C19H17N5O/c1-11-8-18(25)22-15-5-3-4-13(19(15)21-11)12-6-7-17-14(9-12)16(10-20)23-24(17)2/h3-7,9,11,21H,8H2,1-2H3,(H,22,25)/t11-/s2
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n/an/a 250n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50178220
PNG
(CHEMBL3814550 | US10206931, Example 57)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(C5CC5)c4c3)c2N1
Show InChI InChI=1/C21H22N4O/c1-12-10-19(26)23-17-5-3-4-15(21(17)22-12)14-8-9-18-16(11-14)20(13-6-7-13)24-25(18)2/h3-5,8-9,11-13,22H,6-7,10H2,1-2H3,(H,23,26)/t12-/s2
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US Patent
n/an/a 49n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


US Patent US10206931 (2019)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50178217
PNG
(CHEMBL2142704)
Show SMILES CC1CC(=O)Nc2ccccc2N1
Show InChI InChI=1/C10H12N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7,11H,6H2,1H3,(H,12,13)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)