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Patent code US11028051

Compile Data Set for Download or QSAR
Found 14 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 2 (aa 74-94)


(Homo sapiens (Human))
BDBM50452554
PNG
(CHEMBL4207106 | US11028051, Cmpd 51)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccoc1
Show InChI InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-18-9-13(3)22(14(4)23)19-6-5-15(10-17(18)19)16-7-8-25-11-16/h5-8,10-13,18H,9H2,1-4H3,(H,21,24)/t13-,18+/m0/s1
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UniChem
US Patent
n/an/an/a 162n/an/an/an/an/a



St. Jude Children''s Research Hospital

US Patent


Assay Description
Binding of compounds to BRD2 was monitored using an ITC200 (Microcal, Piscataway, N.J.). Either Brd2.1 (74-194) or Brd2.2 (348-455) was dialyzed over...


US Patent US11028051 (2021)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 (aa 348-455)


(Homo sapiens (Human))
BDBM205429
PNG
( (R)-JQ1 (3) | US10407441, Compound (R)-JQ1 | US10...)
Show SMILES Cc1nnc2[C@@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m1/s1
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US Patent
n/an/an/a 112n/an/an/an/an/a



St. Jude Children''s Research Hospital

US Patent


Assay Description
Binding of compounds to BRD2 was monitored using an ITC200 (Microcal, Piscataway, N.J.). Either Brd2.1 (74-194) or Brd2.2 (348-455) was dialyzed over...


US Patent US11028051 (2021)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 (aa 348-455)


(Homo sapiens (Human))
BDBM50452551
PNG
(CHEMBL4209110 | US11028051, Cmpd 50)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccco1
Show InChI InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-25-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
PDB
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UniChem
US Patent
n/an/an/a 280n/an/an/an/an/a



St. Jude Children''s Research Hospital

US Patent


Assay Description
Binding of compounds to BRD2 was monitored using an ITC200 (Microcal, Piscataway, N.J.). Either Brd2.1 (74-194) or Brd2.2 (348-455) was dialyzed over...


US Patent US11028051 (2021)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 (aa 348-455)


(Homo sapiens (Human))
BDBM50452552
PNG
(CHEMBL4205876 | US11028051, Cmpd 52)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cccs1
Show InChI InChI=1S/C20H24N2O3S/c1-12(2)25-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-26-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
PDB
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n/an/an/a 21n/an/an/an/an/a



St. Jude Children''s Research Hospital

US Patent


Assay Description
Binding of compounds to BRD2 was monitored using an ITC200 (Microcal, Piscataway, N.J.). Either Brd2.1 (74-194) or Brd2.2 (348-455) was dialyzed over...


US Patent US11028051 (2021)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 (aa 348-455)


(Homo sapiens (Human))
BDBM50452556
PNG
(CHEMBL4210405 | US11028051, Cmpd 53)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccsc1
Show InChI InChI=1S/C20H24N2O3S/c1-12(2)25-20(24)21-18-9-13(3)22(14(4)23)19-6-5-15(10-17(18)19)16-7-8-26-11-16/h5-8,10-13,18H,9H2,1-4H3,(H,21,24)/t13-,18+/m0/s1
PDB
MMDB

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GoogleScholar
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PC sid
UniChem
US Patent
n/an/an/a 17n/an/an/an/an/a



St. Jude Children''s Research Hospital

US Patent


Assay Description
Binding of compounds to BRD2 was monitored using an ITC200 (Microcal, Piscataway, N.J.). Either Brd2.1 (74-194) or Brd2.2 (348-455) was dialyzed over...


US Patent US11028051 (2021)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 (aa 74-94)


(Homo sapiens (Human))
BDBM50452552
PNG
(CHEMBL4205876 | US11028051, Cmpd 52)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cccs1
Show InChI InChI=1S/C20H24N2O3S/c1-12(2)25-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-26-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/a 61n/an/an/an/an/a



St. Jude Children''s Research Hospital

US Patent


Assay Description
Binding of compounds to BRD2 was monitored using an ITC200 (Microcal, Piscataway, N.J.). Either Brd2.1 (74-194) or Brd2.2 (348-455) was dialyzed over...


US Patent US11028051 (2021)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 (aa 74-94)


(Homo sapiens (Human))
BDBM50452556
PNG
(CHEMBL4210405 | US11028051, Cmpd 53)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccsc1
Show InChI InChI=1S/C20H24N2O3S/c1-12(2)25-20(24)21-18-9-13(3)22(14(4)23)19-6-5-15(10-17(18)19)16-7-8-26-11-16/h5-8,10-13,18H,9H2,1-4H3,(H,21,24)/t13-,18+/m0/s1
MMDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 72n/an/an/an/an/a



St. Jude Children''s Research Hospital

US Patent


Assay Description
Binding of compounds to BRD2 was monitored using an ITC200 (Microcal, Piscataway, N.J.). Either Brd2.1 (74-194) or Brd2.2 (348-455) was dialyzed over...


US Patent US11028051 (2021)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 (aa 74-94)


(Homo sapiens (Human))
BDBM50452553
PNG
(CHEMBL4202664 | US11028051, Cmpd 54)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccc[nH]1
Show InChI InChI=1S/C20H25N3O3/c1-12(2)26-20(25)22-18-10-13(3)23(14(4)24)19-8-7-15(11-16(18)19)17-6-5-9-21-17/h5-9,11-13,18,21H,10H2,1-4H3,(H,22,25)/t13-,18+/m0/s1
MMDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 131n/an/an/an/an/a



St. Jude Children''s Research Hospital

US Patent


Assay Description
Binding of compounds to BRD2 was monitored using an ITC200 (Microcal, Piscataway, N.J.). Either Brd2.1 (74-194) or Brd2.2 (348-455) was dialyzed over...


US Patent US11028051 (2021)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 (aa 348-455)


(Homo sapiens (Human))
BDBM50452554
PNG
(CHEMBL4207106 | US11028051, Cmpd 51)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccoc1
Show InChI InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-18-9-13(3)22(14(4)23)19-6-5-15(10-17(18)19)16-7-8-25-11-16/h5-8,10-13,18H,9H2,1-4H3,(H,21,24)/t13-,18+/m0/s1
PDB
MMDB

KEGG

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 300n/an/an/an/an/a



St. Jude Children''s Research Hospital

US Patent


Assay Description
Binding of compounds to BRD2 was monitored using an ITC200 (Microcal, Piscataway, N.J.). Either Brd2.1 (74-194) or Brd2.2 (348-455) was dialyzed over...


US Patent US11028051 (2021)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 (aa 74-94)


(Homo sapiens (Human))
BDBM50452557
PNG
(CHEMBL4206677 | US11028051, Cmpd 55)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cc[nH]c1
Show InChI InChI=1S/C20H25N3O3/c1-12(2)26-20(25)22-18-9-13(3)23(14(4)24)19-6-5-15(10-17(18)19)16-7-8-21-11-16/h5-8,10-13,18,21H,9H2,1-4H3,(H,22,25)/t13-,18+/m0/s1
MMDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 92n/an/an/an/an/a



St. Jude Children''s Research Hospital

US Patent


Assay Description
Binding of compounds to BRD2 was monitored using an ITC200 (Microcal, Piscataway, N.J.). Either Brd2.1 (74-194) or Brd2.2 (348-455) was dialyzed over...


US Patent US11028051 (2021)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 (aa 74-94)


(Homo sapiens (Human))
BDBM50452551
PNG
(CHEMBL4209110 | US11028051, Cmpd 50)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccco1
Show InChI InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-25-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
MMDB

GoogleScholar
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PC sid
PDB
UniChem
US Patent
n/an/an/a 2.19E+3n/an/an/an/an/a



St. Jude Children''s Research Hospital

US Patent


Assay Description
Binding of compounds to BRD2 was monitored using an ITC200 (Microcal, Piscataway, N.J.). Either Brd2.1 (74-194) or Brd2.2 (348-455) was dialyzed over...


US Patent US11028051 (2021)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 (aa 74-94)


(Homo sapiens (Human))
BDBM205429
PNG
( (R)-JQ1 (3) | US10407441, Compound (R)-JQ1 | US10...)
Show SMILES Cc1nnc2[C@@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m1/s1
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UniChem
US Patent
n/an/an/a 89n/an/an/an/an/a



St. Jude Children''s Research Hospital

US Patent


Assay Description
Binding of compounds to BRD2 was monitored using an ITC200 (Microcal, Piscataway, N.J.). Either Brd2.1 (74-194) or Brd2.2 (348-455) was dialyzed over...


US Patent US11028051 (2021)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 (aa 348-455)


(Homo sapiens (Human))
BDBM50452557
PNG
(CHEMBL4206677 | US11028051, Cmpd 55)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cc[nH]c1
Show InChI InChI=1S/C20H25N3O3/c1-12(2)26-20(25)22-18-9-13(3)23(14(4)24)19-6-5-15(10-17(18)19)16-7-8-21-11-16/h5-8,10-13,18,21H,9H2,1-4H3,(H,22,25)/t13-,18+/m0/s1
PDB
MMDB

KEGG

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 20n/an/an/an/an/a



St. Jude Children''s Research Hospital

US Patent


Assay Description
Binding of compounds to BRD2 was monitored using an ITC200 (Microcal, Piscataway, N.J.). Either Brd2.1 (74-194) or Brd2.2 (348-455) was dialyzed over...


US Patent US11028051 (2021)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 (aa 348-455)


(Homo sapiens (Human))
BDBM50452553
PNG
(CHEMBL4202664 | US11028051, Cmpd 54)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccc[nH]1
Show InChI InChI=1S/C20H25N3O3/c1-12(2)26-20(25)22-18-10-13(3)23(14(4)24)19-8-7-15(11-16(18)19)17-6-5-9-21-17/h5-9,11-13,18,21H,10H2,1-4H3,(H,22,25)/t13-,18+/m0/s1
PDB
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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 36n/an/an/an/an/a



St. Jude Children''s Research Hospital

US Patent


Assay Description
Binding of compounds to BRD2 was monitored using an ITC200 (Microcal, Piscataway, N.J.). Either Brd2.1 (74-194) or Brd2.2 (348-455) was dialyzed over...


US Patent US11028051 (2021)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%