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Compile Data Set for Download or QSAR

Found 6 hits of ic50 data for polymerid = 50006913   
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 8


(Homo sapiens (Human))
BDBM50510872
PNG
(CHEMBL4303404)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3ccccc3-c12 |r,t:10|
Show InChI InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Bromodomain-containing protein 8


(Homo sapiens (Human))
BDBM50510872
PNG
(CHEMBL4303404)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3ccccc3-c12 |r,t:10|
Show InChI InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 8


(Homo sapiens (Human))
BDBM50269849
PNG
(CHEMBL4076748)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H32F2N6O2/c1-17(36)33-9-5-24-23(16-33)27(31-35(24)20-6-10-37-11-7-20)34-8-3-4-18-12-21(19-14-30-32(2)15-19)22(26(28)29)13-25(18)34/h12-15,20,26H,3-11,16H2,1-2H3
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PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from recombinant His-tagged BRD8 bromodomain-1 (unknown origin) measured after 10 mins by T...


J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 8


(Homo sapiens (Human))
BDBM50200384
PNG
(CHEMBL3968533 | US9763922, Example 299)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1F)-c1cnn(C)c1)nn2[C@@H]1CCOC1 |r|
Show InChI InChI=1S/C22H25FN6O2/c1-14(30)28-7-5-21-18(12-28)22(26-29(21)17-6-8-31-13-17)25-20-4-3-15(9-19(20)23)16-10-24-27(2)11-16/h3-4,9-11,17H,5-8,12-13H2,1-2H3,(H,25,26)/t17-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD8 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
Bromodomain-containing protein 8


(Homo sapiens (Human))
BDBM50200385
PNG
(CHEMBL3959584)
Show SMILES CC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1
Show InChI InChI=1S/C14H16N4O/c1-10(19)18-8-7-13-12(9-18)14(17-16-13)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD8 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
Bromodomain-containing protein 8


(Homo sapiens (Human))
BDBM50269847
PNG
(CHEMBL4097025)
Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)
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PC cid
PC sid
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from recombinant His-tagged BRD8 bromodomain-1 (unknown origin) measured after 10 mins by T...


J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair