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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 2 [348-455]' AND taxid = 9606   
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-containing protein 2 [348-455]


(Homo sapiens (Human))		BDBM205431
PNG
((6S+2S)-PEG1 (7))
Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r,c:6,36|
Show InChI InChI=1S/C43H42Cl2N10O5S2/c1-21-23(3)61-42-34(21)36(26-7-11-28(44)12-8-26)48-30(39-52-50-24(4)54(39)42)19-32(56)46-15-17-60-18-16-47-41(58)38-22(2)35-37(27-9-13-29(45)14-10-27)49-31(20-33(57)59-6)40-53-51-25(5)55(40)43(35)62-38/h7-14,30-31H,15-20H2,1-6H3,(H,46,56)(H,47,58)/t30-,31-/m0/s1
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 0.00690n/an/an/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
Refer to DiscoverX

Nat Chem Biol 12: 1089-1096 (2016)


Article DOI: 10.1038/nchembio.2209
BindingDB Entry DOI: 10.7270/Q2VQ31HW
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [348-455]


(Homo sapiens (Human))		BDBM205453
PNG
(MTI (35))
Show SMILES Cc1sc-2c(c1C)C(=NC(CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@@H]1N=C(c3c(C)c(C)sc3-n3c(C)nnc13)c1ccc(Cl)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8,43|
Show InChI InChI=1S/C54H66Cl2N10O9S2/c1-33-35(3)76-53-47(33)49(39-7-11-41(55)12-8-39)59-43(51-63-61-37(5)65(51)53)31-45(67)57-15-17-69-19-21-71-23-25-73-27-29-75-30-28-74-26-24-72-22-20-70-18-16-58-46(68)32-44-52-64-62-38(6)66(52)54-48(34(2)36(4)77-54)50(60-44)40-9-13-42(56)14-10-40/h7-14,43-44H,15-32H2,1-6H3,(H,57,67)(H,58,68)/t43-,44?/m0/s1
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 0.0330n/an/an/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
Refer to DiscoverX

Nat Chem Biol 12: 1089-1096 (2016)


Article DOI: 10.1038/nchembio.2209
BindingDB Entry DOI: 10.7270/Q2VQ31HW
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [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 |r|
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
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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)


BindingDB Entry DOI: 10.7270/Q2C250K7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q2C250K7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [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 |r|
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
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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)


BindingDB Entry DOI: 10.7270/Q2C250K7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [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 |r|
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
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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)


BindingDB Entry DOI: 10.7270/Q2C250K7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [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 |r|
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
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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)


BindingDB Entry DOI: 10.7270/Q2C250K7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [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 |r,c:14|
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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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)


BindingDB Entry DOI: 10.7270/Q2C250K7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [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 |r,c:14|
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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n/an/an/a 18n/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
Refer to DiscoverX

Nat Chem Biol 12: 1089-1096 (2016)


Article DOI: 10.1038/nchembio.2209
BindingDB Entry DOI: 10.7270/Q2VQ31HW
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 [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 |r|
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
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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)


BindingDB Entry DOI: 10.7270/Q2C250K7
More data for this
Ligand-Target Pair