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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Bromodomain testis-specific protein [1-397]'   
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 testis-specific protein [1-397]


(Homo sapiens (Human))
BDBM237471
PNG
(US9393232, 2.46)
Show SMILES Cc1noc(C)c1-c1ccc2NC(=O)C(N3CCC[C@H](N)C3)(c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C24H26N4O2/c1-15-22(16(2)30-27-15)17-10-11-21-20(13-17)24(23(29)26-21,18-7-4-3-5-8-18)28-12-6-9-19(25)14-28/h3-5,7-8,10-11,13,19H,6,9,12,14,25H2,1-2H3,(H,26,29)/t19-,24?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/an/an/an/a7.5n/a



BeiGene, Ltd.

US Patent


Assay Description
The assay was carried out in binding mixtures of the bromodomain protein, 0-10 μM compounds and tetra-acetylated histone peptide (SGRGAC.KGGAC.K...


US Patent US9393232 (2016)


BindingDB Entry DOI: 10.7270/Q25T3JDK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein [1-397]


(Homo sapiens (Human))
BDBM237443
PNG
(US9393232, 2.16)
Show SMILES Cc1noc(C)c1-c1ccc2NC(=O)C(N3CCC[C@H](O)C3)(c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C24H25N3O3/c1-15-22(16(2)30-26-15)17-10-11-21-20(13-17)24(23(29)25-21,18-7-4-3-5-8-18)27-12-6-9-19(28)14-27/h3-5,7-8,10-11,13,19,28H,6,9,12,14H2,1-2H3,(H,25,29)/t19-,24?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 23n/an/an/an/a7.5n/a



BeiGene, Ltd.

US Patent


Assay Description
The assay was carried out in binding mixtures of the bromodomain protein, 0-10 μM compounds and tetra-acetylated histone peptide (SGRGAC.KGGAC.K...


US Patent US9393232 (2016)


BindingDB Entry DOI: 10.7270/Q25T3JDK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein [1-397]


(Homo sapiens (Human))
BDBM237494
PNG
(US9393232, 4.1 | US9393232, 4.1a | US9393232, 4.1b)
Show SMILES Cc1noc(C)c1-c1ccc2NC(=O)C(O)(c3ccsc3)c2c1
Show InChI InChI=1S/C17H14N2O3S/c1-9-15(10(2)22-19-9)11-3-4-14-13(7-11)17(21,16(20)18-14)12-5-6-23-8-12/h3-8,21H,1-2H3,(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 31n/an/an/an/a7.5n/a



BeiGene, Ltd.

US Patent


Assay Description
The assay was carried out in binding mixtures of the bromodomain protein, 0-10 μM compounds and tetra-acetylated histone peptide (SGRGAC.KGGAC.K...


US Patent US9393232 (2016)


BindingDB Entry DOI: 10.7270/Q25T3JDK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein [1-397]


(Homo sapiens (Human))
BDBM237521
PNG
(US9393232, 2.22)
Show SMILES C[C@@H](O)CNC1(C2CCCCC2)C(=O)Nc2ccc(cc12)-c1c(C)noc1C
Show InChI InChI=1S/C22H29N3O3/c1-13(26)12-23-22(17-7-5-4-6-8-17)18-11-16(9-10-19(18)24-21(22)27)20-14(2)25-28-15(20)3/h9-11,13,17,23,26H,4-8,12H2,1-3H3,(H,24,27)/t13-,22?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 42n/an/an/an/a7.5n/a



BeiGene, Ltd.

US Patent


Assay Description
The assay was carried out in binding mixtures of the bromodomain protein, 0-10 μM compounds and tetra-acetylated histone peptide (SGRGAC.KGGAC.K...


US Patent US9393232 (2016)


BindingDB Entry DOI: 10.7270/Q25T3JDK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein [1-397]


(Homo sapiens (Human))
BDBM237422
PNG
(US9393232, 1.30a | US9393232, 1.30b)
Show SMILES Cc1noc(C)c1-c1ccc2NC(=O)C(O)(C3CCCCC3=O)c2c1
Show InChI InChI=1S/C19H20N2O4/c1-10-17(11(2)25-21-10)12-7-8-15-14(9-12)19(24,18(23)20-15)13-5-3-4-6-16(13)22/h7-9,13,24H,3-6H2,1-2H3,(H,20,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 58n/an/an/an/a7.5n/a



BeiGene, Ltd.

US Patent


Assay Description
The assay was carried out in binding mixtures of the bromodomain protein, 0-10 μM compounds and tetra-acetylated histone peptide (SGRGAC.KGGAC.K...


US Patent US9393232 (2016)


BindingDB Entry DOI: 10.7270/Q25T3JDK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein [1-397]


(Homo sapiens (Human))
BDBM237509
PNG
(US9393232, 2.10a | US9393232, 2.10b)
Show SMILES C[C@H](CO)NC1(C(=O)Nc2ccc(cc12)-c1c(C)noc1C)c1ccccc1
Show InChI InChI=1S/C22H23N3O3/c1-13(12-26)24-22(17-7-5-4-6-8-17)18-11-16(9-10-19(18)23-21(22)27)20-14(2)25-28-15(20)3/h4-11,13,24,26H,12H2,1-3H3,(H,23,27)/t13-,22?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 69n/an/an/an/a7.5n/a



BeiGene, Ltd.

US Patent


Assay Description
The assay was carried out in binding mixtures of the bromodomain protein, 0-10 μM compounds and tetra-acetylated histone peptide (SGRGAC.KGGAC.K...


US Patent US9393232 (2016)


BindingDB Entry DOI: 10.7270/Q25T3JDK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein [1-397]


(Homo sapiens (Human))
BDBM237428
PNG
(US9393232, 2.2 | US9393232, 2.2a | US9393232, 2.2b)
Show SMILES Cc1noc(C)c1-c1ccc2NC(=O)C(N)(c2c1)c1ccccc1
Show InChI InChI=1S/C19H17N3O2/c1-11-17(12(2)24-22-11)13-8-9-16-15(10-13)19(20,18(23)21-16)14-6-4-3-5-7-14/h3-10H,20H2,1-2H3,(H,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 95n/an/an/an/a7.5n/a



BeiGene, Ltd.

US Patent


Assay Description
The assay was carried out in binding mixtures of the bromodomain protein, 0-10 μM compounds and tetra-acetylated histone peptide (SGRGAC.KGGAC.K...


US Patent US9393232 (2016)


BindingDB Entry DOI: 10.7270/Q25T3JDK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein [1-397]


(Homo sapiens (Human))
BDBM237408
PNG
(US9393232, 1.16)
Show SMILES Cc1noc(C)c1-c1ccc2NC(=O)C(O)(C3CCOCC3)c2c1
Show InChI InChI=1S/C18H20N2O4/c1-10-16(11(2)24-20-10)12-3-4-15-14(9-12)18(22,17(21)19-15)13-5-7-23-8-6-13/h3-4,9,13,22H,5-8H2,1-2H3,(H,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 510n/an/an/an/a7.5n/a



BeiGene, Ltd.

US Patent


Assay Description
The assay was carried out in binding mixtures of the bromodomain protein, 0-10 μM compounds and tetra-acetylated histone peptide (SGRGAC.KGGAC.K...


US Patent US9393232 (2016)


BindingDB Entry DOI: 10.7270/Q25T3JDK
More data for this
Ligand-Target Pair