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2 similar compounds to monomer 50200379

Compile data set for download or QSAR
Wt: 390.4
BDBM50200383
Wt: 619.1
BDBM50200372

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50200383,50200372   
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
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50200372
PNG
(CHEMBL3964964)
Show SMILES Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3nc(no3)-c3cccnc3)CCO4)cc2)cc1
Show InChI InChI=1S/C34H38N4O5.ClH/c39-32(40)12-9-25-7-10-30(11-8-25)41-24-27-5-3-26(4-6-27)23-38-17-14-34(15-18-38)21-28(13-19-42-34)20-31-36-33(37-43-31)29-2-1-16-35-22-29;/h1-8,10-11,16,22,28H,9,12-15,17-21,23-24H2,(H,39,40);1H
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PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay


Bioorg Med Chem 24: 5481-5494 (2016)


Article DOI: 10.1016/j.bmc.2016.09.004
BindingDB Entry DOI: 10.7270/Q2BR8V4G
More data for this
Ligand-Target Pair
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50200383
PNG
(CHEMBL3938408 | US9763922, Example 73)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(c1)-c1ccnn1C)nn2CC1CC1
Show InChI InChI=1S/C22H26N6O/c1-15(29)27-11-9-21-19(14-27)22(25-28(21)13-16-6-7-16)24-18-5-3-4-17(12-18)20-8-10-23-26(20)2/h3-5,8,10,12,16H,6-7,9,11,13-14H2,1-2H3,(H,24,25)
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n/an/a 980n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Halo-tagged histone H3.3 binding to CBP/EP300 (unknown origin) expressed in HEK293 cells measured after overnight incubation by lucifer...


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50200383
PNG
(CHEMBL3938408 | US9763922, Example 73)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(c1)-c1ccnn1C)nn2CC1CC1
Show InChI InChI=1S/C22H26N6O/c1-15(29)27-11-9-21-19(14-27)22(25-28(21)13-16-6-7-16)24-18-5-3-4-17(12-18)20-8-10-23-26(20)2/h3-5,8,10,12,16H,6-7,9,11,13-14H2,1-2H3,(H,24,25)
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KEGG

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US Patent
n/an/a 3.05E+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 US9763922 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50200383
PNG
(CHEMBL3938408 | US9763922, Example 73)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(c1)-c1ccnn1C)nn2CC1CC1
Show InChI InChI=1S/C22H26N6O/c1-15(29)27-11-9-21-19(14-27)22(25-28(21)13-16-6-7-16)24-18-5-3-4-17(12-18)20-8-10-23-26(20)2/h3-5,8,10,12,16H,6-7,9,11,13-14H2,1-2H3,(H,24,25)
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n/an/a 30n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP/EP300 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50200383
PNG
(CHEMBL3938408 | US9763922, Example 73)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(c1)-c1ccnn1C)nn2CC1CC1
Show InChI InChI=1S/C22H26N6O/c1-15(29)27-11-9-21-19(14-27)22(25-28(21)13-16-6-7-16)24-18-5-3-4-17(12-18)20-8-10-23-26(20)2/h3-5,8,10,12,16H,6-7,9,11,13-14H2,1-2H3,(H,24,25)
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KEGG

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US Patent
n/an/a 30n/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 US9763922 (2017)

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


(Homo sapiens (Human))
BDBM50200383
PNG
(CHEMBL3938408 | US9763922, Example 73)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(c1)-c1ccnn1C)nn2CC1CC1
Show InChI InChI=1S/C22H26N6O/c1-15(29)27-11-9-21-19(14-27)22(25-28(21)13-16-6-7-16)24-18-5-3-4-17(12-18)20-8-10-23-26(20)2/h3-5,8,10,12,16H,6-7,9,11,13-14H2,1-2H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair