Found 118 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 2 [364-436]' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179480
(US9675697, Cpd. No. 68)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3c(C)[nH]c4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;2.06,2.12,;.57,1.72,;2.54,3.59,;4.08,3.59,;5.11,4.73,;6.61,4.41,;7.09,2.95,;6.06,1.8,;4.55,2.12,;2.46,-1.17,)| Show InChI InChI=1S/C26H23N5O2/c1-12-23(16-8-6-7-9-19(16)27-12)25-24-17-11-21(32-5)18(22-13(2)31-33-14(22)3)10-20(17)30-26(24)29-15(4)28-25/h6-11,27H,1-5H3,(H,28,29,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| 1.70 | -50.1 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179633
(US9675697, Cpd. No. 316)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(NC(=O)N4CCN(C)CC4)c4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;2.14,1.89,;1.97,3.42,;3.22,4.33,;3.06,5.86,;1.65,6.48,;.41,5.58,;1.49,8.01,;2.74,8.92,;2.58,10.45,;1.17,11.08,;1.01,12.61,;-.08,10.17,;.09,8.64,;4.63,3.7,;5.87,4.6,;7.28,3.98,;7.44,2.45,;6.2,1.54,;4.79,2.17,;2.46,-1.17,)| Show InChI InChI=1S/C33H33N7O3/c1-18-29(19(2)43-38-18)25-16-27-24(17-28(25)42-5)30-31(34-20(3)35-32(30)36-27)23-10-11-26(22-9-7-6-8-21(22)23)37-33(41)40-14-12-39(4)13-15-40/h6-11,16-17H,12-15H2,1-5H3,(H,37,41)(H,34,35,36) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 2.60 | -49.0 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179480
(US9675697, Cpd. No. 68)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3c(C)[nH]c4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;2.06,2.12,;.57,1.72,;2.54,3.59,;4.08,3.59,;5.11,4.73,;6.61,4.41,;7.09,2.95,;6.06,1.8,;4.55,2.12,;2.46,-1.17,)| Show InChI InChI=1S/C26H23N5O2/c1-12-23(16-8-6-7-9-19(16)27-12)25-24-17-11-21(32-5)18(22-13(2)31-33-14(22)3)10-20(17)30-26(24)29-15(4)28-25/h6-11,27H,1-5H3,(H,28,29,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 2.70 | -48.9 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179633
(US9675697, Cpd. No. 316)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(NC(=O)N4CCN(C)CC4)c4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;2.14,1.89,;1.97,3.42,;3.22,4.33,;3.06,5.86,;1.65,6.48,;.41,5.58,;1.49,8.01,;2.74,8.92,;2.58,10.45,;1.17,11.08,;1.01,12.61,;-.08,10.17,;.09,8.64,;4.63,3.7,;5.87,4.6,;7.28,3.98,;7.44,2.45,;6.2,1.54,;4.79,2.17,;2.46,-1.17,)| Show InChI InChI=1S/C33H33N7O3/c1-18-29(19(2)43-38-18)25-16-27-24(17-28(25)42-5)30-31(34-20(3)35-32(30)36-27)23-10-11-26(22-9-7-6-8-21(22)23)37-33(41)40-14-12-39(4)13-15-40/h6-11,16-17H,12-15H2,1-5H3,(H,37,41)(H,34,35,36) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 2.90 | -48.7 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179490
(US9675697, Cpd. No. 196)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(C(=O)NC4CCN(C)CC4)c4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;2.14,1.89,;1.97,3.42,;3.22,4.33,;3.06,5.86,;4.31,6.76,;1.65,6.48,;1.49,8.01,;2.74,8.92,;2.58,10.45,;1.17,11.08,;1.01,12.61,;-.08,10.17,;.09,8.64,;4.63,3.7,;5.87,4.6,;7.28,3.98,;7.44,2.45,;6.2,1.54,;4.79,2.17,;2.46,-1.17,)| Show InChI InChI=1S/C34H34N6O3/c1-18-30(19(2)43-39-18)27-16-28-26(17-29(27)42-5)31-32(35-20(3)36-33(31)38-28)24-10-11-25(23-9-7-6-8-22(23)24)34(41)37-21-12-14-40(4)15-13-21/h6-11,16-17,21H,12-15H2,1-5H3,(H,37,41)(H,35,36,38) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 3.5 | -48.3 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179491
(US9675697, Cpd. No. 197)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(C(=O)NC4CCN(CC4)C4COC4)c4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;2.14,1.89,;1.97,3.42,;3.22,4.33,;3.06,5.86,;4.31,6.76,;1.65,6.48,;1.49,8.01,;2.74,8.92,;2.58,10.45,;1.17,11.08,;-.08,10.17,;.09,8.64,;1.01,12.61,;-.24,13.51,;.64,14.83,;1.91,13.86,;4.63,3.7,;5.87,4.6,;7.28,3.98,;7.44,2.45,;6.2,1.54,;4.79,2.17,;2.46,-1.17,)| Show InChI InChI=1S/C36H36N6O4/c1-19-32(20(2)46-41-19)29-15-30-28(16-31(29)44-4)33-34(37-21(3)38-35(33)40-30)26-9-10-27(25-8-6-5-7-24(25)26)36(43)39-22-11-13-42(14-12-22)23-17-45-18-23/h5-10,15-16,22-23H,11-14,17-18H2,1-4H3,(H,39,43)(H,37,38,40) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 3.60 | -48.2 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179492
(US9675697, Cpd. No. 207)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(C(=O)N4CCN(C)CC4)c4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;2.14,1.89,;1.97,3.42,;3.22,4.33,;3.06,5.86,;4.31,6.76,;1.65,6.48,;1.49,8.01,;.08,8.64,;-1.16,7.74,;-2.57,8.36,;-1,6.2,;.41,5.58,;4.63,3.7,;5.87,4.6,;7.28,3.98,;7.44,2.45,;6.2,1.54,;4.79,2.17,;2.46,-1.17,)| Show InChI InChI=1S/C33H32N6O3/c1-18-29(19(2)42-37-18)26-16-27-25(17-28(26)41-5)30-31(34-20(3)35-32(30)36-27)23-10-11-24(22-9-7-6-8-21(22)23)33(40)39-14-12-38(4)13-15-39/h6-11,16-17H,12-15H2,1-5H3,(H,34,35,36) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 4.10 | -47.9 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179574
(US9675697, Cpd. No. 212)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc([nH]c3C(C)C)C(=O)NC3CCN(CC3)C3CCOCC3)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;2.06,2.12,;2.54,3.59,;4.08,3.59,;4.55,2.12,;6.04,1.72,;6.44,.24,;7.13,2.81,;1.63,4.83,;.1,4.67,;2.26,6.24,;1.35,7.49,;1.98,8.89,;1.07,10.14,;-.46,9.98,;-1.09,8.57,;-.18,7.33,;-1.36,11.22,;-.74,12.63,;-1.64,13.88,;-3.17,13.72,;-3.8,12.31,;-2.9,11.06,;2.46,-1.17,)| Show InChI InChI=1S/C35H43N7O4/c1-18(2)32-26(16-28(39-32)35(43)38-22-7-11-42(12-8-22)23-9-13-45-14-10-23)33-31-24-17-29(44-6)25(30-19(3)41-46-20(30)4)15-27(24)40-34(31)37-21(5)36-33/h15-18,22-23,39H,7-14H2,1-6H3,(H,38,43)(H,36,37,40) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 4.5 | -47.6 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179574
(US9675697, Cpd. No. 212)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc([nH]c3C(C)C)C(=O)NC3CCN(CC3)C3CCOCC3)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;2.06,2.12,;2.54,3.59,;4.08,3.59,;4.55,2.12,;6.04,1.72,;6.44,.24,;7.13,2.81,;1.63,4.83,;.1,4.67,;2.26,6.24,;1.35,7.49,;1.98,8.89,;1.07,10.14,;-.46,9.98,;-1.09,8.57,;-.18,7.33,;-1.36,11.22,;-.74,12.63,;-1.64,13.88,;-3.17,13.72,;-3.8,12.31,;-2.9,11.06,;2.46,-1.17,)| Show InChI InChI=1S/C35H43N7O4/c1-18(2)32-26(16-28(39-32)35(43)38-22-7-11-42(12-8-22)23-9-13-45-14-10-23)33-31-24-17-29(44-6)25(30-19(3)41-46-20(30)4)15-27(24)40-34(31)37-21(5)36-33/h15-18,22-23,39H,7-14H2,1-6H3,(H,38,43)(H,36,37,40) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 4.60 | -47.6 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179493
(US9675697, Cpd. No. 211)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc([nH]c3C(C)C)C(=O)NC3CCN(C)CC3)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;2.06,2.12,;2.54,3.59,;4.08,3.59,;4.55,2.12,;6.04,1.72,;6.44,.24,;7.13,2.81,;1.63,4.83,;.1,4.67,;2.26,6.24,;1.35,7.49,;1.98,8.89,;1.07,10.14,;-.46,9.98,;-1.36,11.22,;-1.09,8.57,;-.18,7.33,;2.46,-1.17,)| Show InChI InChI=1S/C31H37N7O3/c1-15(2)28-22(13-24(35-28)31(39)34-19-8-10-38(6)11-9-19)29-27-20-14-25(40-7)21(26-16(3)37-41-17(26)4)12-23(20)36-30(27)33-18(5)32-29/h12-15,19,35H,8-11H2,1-7H3,(H,34,39)(H,32,33,36) | PDB
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UniChem
| US Patent
| 4.90 | -47.4 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179492
(US9675697, Cpd. No. 207)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(C(=O)N4CCN(C)CC4)c4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;2.14,1.89,;1.97,3.42,;3.22,4.33,;3.06,5.86,;4.31,6.76,;1.65,6.48,;1.49,8.01,;.08,8.64,;-1.16,7.74,;-2.57,8.36,;-1,6.2,;.41,5.58,;4.63,3.7,;5.87,4.6,;7.28,3.98,;7.44,2.45,;6.2,1.54,;4.79,2.17,;2.46,-1.17,)| Show InChI InChI=1S/C33H32N6O3/c1-18-29(19(2)42-37-18)26-16-27-25(17-28(26)41-5)30-31(34-20(3)35-32(30)36-27)23-10-11-24(22-9-7-6-8-21(22)23)33(40)39-14-12-38(4)13-15-39/h6-11,16-17H,12-15H2,1-5H3,(H,34,35,36) | PDB
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| PC cid
PC sid
UniChem
| US Patent
| 5.10 | -47.3 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179493
(US9675697, Cpd. No. 211)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc([nH]c3C(C)C)C(=O)NC3CCN(C)CC3)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;2.06,2.12,;2.54,3.59,;4.08,3.59,;4.55,2.12,;6.04,1.72,;6.44,.24,;7.13,2.81,;1.63,4.83,;.1,4.67,;2.26,6.24,;1.35,7.49,;1.98,8.89,;1.07,10.14,;-.46,9.98,;-1.36,11.22,;-1.09,8.57,;-.18,7.33,;2.46,-1.17,)| Show InChI InChI=1S/C31H37N7O3/c1-15(2)28-22(13-24(35-28)31(39)34-19-8-10-38(6)11-9-19)29-27-20-14-25(40-7)21(26-16(3)37-41-17(26)4)12-23(20)36-30(27)33-18(5)32-29/h12-15,19,35H,8-11H2,1-7H3,(H,34,39)(H,32,33,36) | PDB
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| PC cid
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UniChem
| US Patent
| 5.20 | -47.3 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179638
(US9675697, Cpd. No. 319)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc(cc(c3)C(C)(C)C)C(=O)NC3CCN(C)CC3)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;4.79,2.17,;4.63,3.7,;3.22,4.33,;1.97,3.42,;2.14,1.89,;.57,4.05,;-.97,4.08,;.9,5.55,;.23,2.54,;5.87,4.6,;5.71,6.14,;7.28,3.98,;8.53,4.88,;9.93,4.26,;11.18,5.16,;11.02,6.69,;12.26,7.6,;9.61,7.32,;8.37,6.41,;2.46,-1.17,)| Show InChI InChI=1S/C34H40N6O3/c1-18-29(19(2)43-39-18)26-16-27-25(17-28(26)42-8)30-31(35-20(3)36-32(30)38-27)21-13-22(15-23(14-21)34(4,5)6)33(41)37-24-9-11-40(7)12-10-24/h13-17,24H,9-12H2,1-8H3,(H,37,41)(H,35,36,38) | PDB
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UniChem
| US Patent
| 5.20 | -47.3 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179638
(US9675697, Cpd. No. 319)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc(cc(c3)C(C)(C)C)C(=O)NC3CCN(C)CC3)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;4.79,2.17,;4.63,3.7,;3.22,4.33,;1.97,3.42,;2.14,1.89,;.57,4.05,;-.97,4.08,;.9,5.55,;.23,2.54,;5.87,4.6,;5.71,6.14,;7.28,3.98,;8.53,4.88,;9.93,4.26,;11.18,5.16,;11.02,6.69,;12.26,7.6,;9.61,7.32,;8.37,6.41,;2.46,-1.17,)| Show InChI InChI=1S/C34H40N6O3/c1-18-29(19(2)43-39-18)26-16-27-25(17-28(26)42-8)30-31(35-20(3)36-32(30)38-27)21-13-22(15-23(14-21)34(4,5)6)33(41)37-24-9-11-40(7)12-10-24/h13-17,24H,9-12H2,1-8H3,(H,37,41)(H,35,36,38) | PDB
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| 5.30 | -47.2 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179627
(US9675697, Cpd. No. 213)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc([nH]c3C(C)C)C(=O)NC3CCN(CC3)C3COC3)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;2.06,2.12,;2.54,3.59,;4.08,3.59,;4.55,2.12,;6.04,1.72,;6.44,.24,;7.13,2.81,;1.63,4.83,;.1,4.67,;2.26,6.24,;1.35,7.49,;1.98,8.89,;1.07,10.14,;-.46,9.98,;-1.09,8.57,;-.18,7.33,;-1.36,11.22,;-2.87,11.54,;-2.63,13.15,;-1.13,12.65,;2.46,-1.17,)| Show InChI InChI=1S/C33H39N7O4/c1-16(2)30-24(12-26(37-30)33(41)36-20-7-9-40(10-8-20)21-14-43-15-21)31-29-22-13-27(42-6)23(28-17(3)39-44-18(28)4)11-25(22)38-32(29)35-19(5)34-31/h11-13,16,20-21,37H,7-10,14-15H2,1-6H3,(H,36,41)(H,34,35,38) | PDB
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UniChem
| US Patent
| 6.5 | -46.7 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179490
(US9675697, Cpd. No. 196)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(C(=O)NC4CCN(C)CC4)c4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;2.14,1.89,;1.97,3.42,;3.22,4.33,;3.06,5.86,;4.31,6.76,;1.65,6.48,;1.49,8.01,;2.74,8.92,;2.58,10.45,;1.17,11.08,;1.01,12.61,;-.08,10.17,;.09,8.64,;4.63,3.7,;5.87,4.6,;7.28,3.98,;7.44,2.45,;6.2,1.54,;4.79,2.17,;2.46,-1.17,)| Show InChI InChI=1S/C34H34N6O3/c1-18-30(19(2)43-39-18)27-16-28-26(17-29(27)42-5)31-32(35-20(3)36-33(31)38-28)24-10-11-25(23-9-7-6-8-22(23)24)34(41)37-21-12-14-40(4)15-13-21/h6-11,16-17,21H,12-15H2,1-5H3,(H,37,41)(H,35,36,38) | PDB
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| 7 | -46.5 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179637
(US9675697, Cpd. No. 317)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(NC(=O)N4CCN(CC4)C4COC4)c4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;2.14,1.89,;1.97,3.42,;3.22,4.33,;3.06,5.86,;1.65,6.48,;.41,5.58,;1.49,8.01,;2.74,8.92,;2.58,10.45,;1.17,11.08,;-.08,10.17,;.09,8.64,;1.01,12.61,;1.76,13.53,;.76,14.4,;.02,13.22,;4.63,3.7,;5.87,4.6,;7.28,3.98,;7.44,2.45,;6.2,1.54,;4.79,2.17,;2.46,-1.17,)| Show InChI InChI=1S/C35H35N7O4/c1-19-31(20(2)46-40-19)27-15-29-26(16-30(27)44-4)32-33(36-21(3)37-34(32)38-29)25-9-10-28(24-8-6-5-7-23(24)25)39-35(43)42-13-11-41(12-14-42)22-17-45-18-22/h5-10,15-16,22H,11-14,17-18H2,1-4H3,(H,39,43)(H,36,37,38) | PDB
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UniChem
| US Patent
| 7.10 | -46.5 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179627
(US9675697, Cpd. No. 213)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc([nH]c3C(C)C)C(=O)NC3CCN(CC3)C3COC3)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;2.06,2.12,;2.54,3.59,;4.08,3.59,;4.55,2.12,;6.04,1.72,;6.44,.24,;7.13,2.81,;1.63,4.83,;.1,4.67,;2.26,6.24,;1.35,7.49,;1.98,8.89,;1.07,10.14,;-.46,9.98,;-1.09,8.57,;-.18,7.33,;-1.36,11.22,;-2.87,11.54,;-2.63,13.15,;-1.13,12.65,;2.46,-1.17,)| Show InChI InChI=1S/C33H39N7O4/c1-16(2)30-24(12-26(37-30)33(41)36-20-7-9-40(10-8-20)21-14-43-15-21)31-29-22-13-27(42-6)23(28-17(3)39-44-18(28)4)11-25(22)38-32(29)35-19(5)34-31/h11-13,16,20-21,37H,7-10,14-15H2,1-6H3,(H,36,41)(H,34,35,38) | PDB
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179639
(US9675697, Cpd. No. 322)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc(cc(c3)C(C)(C)C)C(=O)NC3CCN(CC3)C3COC3)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;4.79,2.17,;4.63,3.7,;3.22,4.33,;1.97,3.42,;2.14,1.89,;.57,4.05,;-.97,4.08,;.9,5.55,;.23,2.54,;5.87,4.6,;5.71,6.14,;7.28,3.98,;8.53,4.88,;9.93,4.26,;11.18,5.16,;11.02,6.69,;9.61,7.32,;8.37,6.41,;12.26,7.6,;12.44,8.85,;14,8.72,;13.62,7.1,;2.46,-1.17,)| Show InChI InChI=1S/C36H42N6O4/c1-19-31(20(2)46-41-19)28-15-29-27(16-30(28)44-7)32-33(37-21(3)38-34(32)40-29)22-12-23(14-24(13-22)36(4,5)6)35(43)39-25-8-10-42(11-9-25)26-17-45-18-26/h12-16,25-26H,8-11,17-18H2,1-7H3,(H,39,43)(H,37,38,40) | PDB
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| 7.40 | -46.4 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179639
(US9675697, Cpd. No. 322)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc(cc(c3)C(C)(C)C)C(=O)NC3CCN(CC3)C3COC3)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;4.79,2.17,;4.63,3.7,;3.22,4.33,;1.97,3.42,;2.14,1.89,;.57,4.05,;-.97,4.08,;.9,5.55,;.23,2.54,;5.87,4.6,;5.71,6.14,;7.28,3.98,;8.53,4.88,;9.93,4.26,;11.18,5.16,;11.02,6.69,;9.61,7.32,;8.37,6.41,;12.26,7.6,;12.44,8.85,;14,8.72,;13.62,7.1,;2.46,-1.17,)| Show InChI InChI=1S/C36H42N6O4/c1-19-31(20(2)46-41-19)28-15-29-27(16-30(28)44-7)32-33(37-21(3)38-34(32)40-29)22-12-23(14-24(13-22)36(4,5)6)35(43)39-25-8-10-42(11-9-25)26-17-45-18-26/h12-16,25-26H,8-11,17-18H2,1-7H3,(H,39,43)(H,37,38,40) | PDB
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179481
(US9675697, Cpd. No. 73)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;1.84,1.69,;1.52,3.2,;2.66,4.23,;4.13,3.75,;5.27,4.79,;6.74,4.31,;7.06,2.8,;5.91,1.77,;4.45,2.25,;2.46,-1.17,)| Show InChI InChI=1S/C26H21N5O2/c1-13-23(14(2)33-31-13)19-11-21-18(12-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-9-10-27-20-8-6-5-7-16(17)20/h5-12H,1-4H3,(H,28,29,30) | PDB
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179637
(US9675697, Cpd. No. 317)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(NC(=O)N4CCN(CC4)C4COC4)c4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;2.14,1.89,;1.97,3.42,;3.22,4.33,;3.06,5.86,;1.65,6.48,;.41,5.58,;1.49,8.01,;2.74,8.92,;2.58,10.45,;1.17,11.08,;-.08,10.17,;.09,8.64,;1.01,12.61,;1.76,13.53,;.76,14.4,;.02,13.22,;4.63,3.7,;5.87,4.6,;7.28,3.98,;7.44,2.45,;6.2,1.54,;4.79,2.17,;2.46,-1.17,)| Show InChI InChI=1S/C35H35N7O4/c1-19-31(20(2)46-40-19)27-15-29-26(16-30(27)44-4)32-33(36-21(3)37-34(32)38-29)25-9-10-28(24-8-6-5-7-23(24)25)39-35(43)42-13-11-41(12-14-42)22-17-45-18-22/h5-10,15-16,22H,11-14,17-18H2,1-4H3,(H,39,43)(H,36,37,38) | PDB
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179481
(US9675697, Cpd. No. 73)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;1.84,1.69,;1.52,3.2,;2.66,4.23,;4.13,3.75,;5.27,4.79,;6.74,4.31,;7.06,2.8,;5.91,1.77,;4.45,2.25,;2.46,-1.17,)| Show InChI InChI=1S/C26H21N5O2/c1-13-23(14(2)33-31-13)19-11-21-18(12-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-9-10-27-20-8-6-5-7-16(17)20/h5-12H,1-4H3,(H,28,29,30) | PDB
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179485
(US9675697, Cpd. No. 183)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cccc(c3)C(C)(C)O)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;2.14,1.89,;1.97,3.42,;3.22,4.33,;4.63,3.7,;4.79,2.17,;5.87,4.6,;5.71,6.14,;7.28,3.98,;6.03,3.07,;2.46,-1.17,)| Show InChI InChI=1S/C26H26N4O3/c1-13-22(14(2)33-30-13)19-11-20-18(12-21(19)32-6)23-24(27-15(3)28-25(23)29-20)16-8-7-9-17(10-16)26(4,5)31/h7-12,31H,1-6H3,(H,27,28,29) | PDB
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179491
(US9675697, Cpd. No. 197)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(C(=O)NC4CCN(CC4)C4COC4)c4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;2.14,1.89,;1.97,3.42,;3.22,4.33,;3.06,5.86,;4.31,6.76,;1.65,6.48,;1.49,8.01,;2.74,8.92,;2.58,10.45,;1.17,11.08,;-.08,10.17,;.09,8.64,;1.01,12.61,;-.24,13.51,;.64,14.83,;1.91,13.86,;4.63,3.7,;5.87,4.6,;7.28,3.98,;7.44,2.45,;6.2,1.54,;4.79,2.17,;2.46,-1.17,)| Show InChI InChI=1S/C36H36N6O4/c1-19-32(20(2)46-41-19)29-15-30-28(16-31(29)44-4)33-34(37-21(3)38-35(33)40-30)26-9-10-27(25-8-6-5-7-24(25)26)36(43)39-22-11-13-42(14-12-22)23-17-45-18-23/h5-10,15-16,22-23H,11-14,17-18H2,1-4H3,(H,39,43)(H,37,38,40) | PDB
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM50092323
(CHEMBL3581656 | US9675697, Cpd. No. 21)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)| Show InChI InChI=1S/C22H21N5O2/c1-10-19(11(2)26-25-10)22-21-14-9-18(28-5)15(20-12(3)27-29-13(20)4)8-17(14)24-16(21)6-7-23-22/h6-9,24H,1-5H3,(H,25,26) | PDB
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| <10 | <-45.7 | 93 | n/a | n/a | n/a | n/a | 7.5 | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
The FAM labeled fluorescent probe (BRD-1F) was synthesized based on a known small-molecule BET bromodomain inhibitor. Kd values of BRD-1F to these th... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179460
(US9675697, Cpd. No. 17)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c[nH]c4ccccc34)c21 |(-1.88,2.57,;-2.65,1.24,;-1.88,-.09,;-.34,-.09,;.43,-1.43,;-.34,-2.76,;-1.88,-2.76,;-2.65,-1.43,;-4.19,-1.43,;-5.1,-2.67,;-4.7,-4.16,;-6.56,-2.2,;-6.56,-.66,;-5.1,-.18,;-4.7,1.31,;.69,-3.9,;2.09,-3.28,;3.5,-3.9,;4.75,-3,;4.59,-1.47,;3.18,-.84,;2.78,.65,;1.53,1.55,;2.01,3.02,;3.55,3.02,;4.58,4.16,;6.09,3.84,;6.56,2.38,;5.53,1.23,;4.03,1.55,;1.93,-1.75,)| Show InChI InChI=1S/C25H20N4O2/c1-13-23(14(2)31-29-13)17-10-21-16(11-22(17)30-3)24-20(28-21)8-9-26-25(24)18-12-27-19-7-5-4-6-15(18)19/h4-12,27-28H,1-3H3 | PDB
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
The FAM labeled fluorescent probe (BRD-1F) was synthesized based on a known small-molecule BET bromodomain inhibitor. Kd values of BRD-1F to these th... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM50092310
(CHEMBL3581661 | US9675697, Cpd. No. 23)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-3.96,4.12,;-5.16,3.71,;-3.48,5.64,;-1.89,5.66,;-1.38,4.15,;.14,3.67,;1.21,2.62,;1.55,4.18,;-1.3,.87,)| Show InChI InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28) | PDB
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179485
(US9675697, Cpd. No. 183)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cccc(c3)C(C)(C)O)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;2.14,1.89,;1.97,3.42,;3.22,4.33,;4.63,3.7,;4.79,2.17,;5.87,4.6,;5.71,6.14,;7.28,3.98,;6.03,3.07,;2.46,-1.17,)| Show InChI InChI=1S/C26H26N4O3/c1-13-22(14(2)33-30-13)19-11-20-18(12-21(19)32-6)23-24(27-15(3)28-25(23)29-20)16-8-7-9-17(10-16)26(4,5)31/h7-12,31H,1-6H3,(H,27,28,29) | PDB
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM50092310
(CHEMBL3581661 | US9675697, Cpd. No. 23)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-3.96,4.12,;-5.16,3.71,;-3.48,5.64,;-1.89,5.66,;-1.38,4.15,;.14,3.67,;1.21,2.62,;1.55,4.18,;-1.3,.87,)| Show InChI InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28) | PDB
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM50092341
(CHEMBL3581660 | US9675697, Cpd. No. 22)Show SMILES CCc1n[nH]c(CC)c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12 |(1.07,4.53,;.13,3.67,;-1.38,4.15,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.46,3.6,;-6.42,4.44,;-2.66,3.22,;-2.64,1.63,;-3.92,.87,;-3.92,-.64,;-2.64,-1.4,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;3.96,.87,;5.34,1.67,;5.34,2.95,;2.62,1.63,;1.3,.87,;-1.3,.87,)| Show InChI InChI=1S/C24H25N5O2/c1-6-16-23(17(7-2)28-27-16)24-22-14-11-20(30-5)15(21-12(3)29-31-13(21)4)10-19(14)26-18(22)8-9-25-24/h8-11,26H,6-7H2,1-5H3,(H,27,28) | PDB
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| 15 | -44.7 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM50092341
(CHEMBL3581660 | US9675697, Cpd. No. 22)Show SMILES CCc1n[nH]c(CC)c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12 |(1.07,4.53,;.13,3.67,;-1.38,4.15,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.46,3.6,;-6.42,4.44,;-2.66,3.22,;-2.64,1.63,;-3.92,.87,;-3.92,-.64,;-2.64,-1.4,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;3.96,.87,;5.34,1.67,;5.34,2.95,;2.62,1.63,;1.3,.87,;-1.3,.87,)| Show InChI InChI=1S/C24H25N5O2/c1-6-16-23(17(7-2)28-27-16)24-22-14-11-20(30-5)15(21-12(3)29-31-13(21)4)10-19(14)26-18(22)8-9-25-24/h8-11,26H,6-7H2,1-5H3,(H,27,28) | PDB
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| 16 | -44.5 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179474
(US9675697, Cpd. No. 25)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nnc3-c3ccccc3)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;5.11,-.9,;3.7,-.27,;3.31,1.22,;2.06,2.12,;.57,1.72,;2.54,3.59,;4.08,3.59,;4.55,2.12,;6.04,1.72,;6.36,.22,;7.82,-.26,;8.97,.77,;8.65,2.28,;7.18,2.76,;2.46,-1.17,)| | PDB
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| 22 | -43.7 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179457
(US9675697, Cpd. No. 3)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccccc3)c21 |(-1.12,2.92,;-1.75,1.51,;-.98,.18,;.56,.18,;1.33,-1.16,;.56,-2.49,;-.98,-2.49,;-1.75,-1.16,;-3.29,-1.16,;-4.19,-2.4,;-3.79,-3.89,;-5.65,-1.93,;-5.65,-.39,;-4.19,.09,;-3.79,1.58,;1.6,-3.64,;3,-3.01,;4.41,-3.64,;5.65,-2.73,;5.49,-1.2,;4.09,-.57,;3.69,.92,;4.78,2,;4.38,3.49,;2.89,3.89,;1.8,2.8,;2.2,1.31,;2.84,-1.48,)| Show InChI InChI=1S/C23H19N3O2/c1-13-21(14(2)28-26-13)17-11-19-16(12-20(17)27-3)22-18(25-19)9-10-24-23(22)15-7-5-4-6-8-15/h4-12,25H,1-3H3 | PDB
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| US Patent
| 35 | -42.6 | 255 | n/a | n/a | n/a | n/a | 7.5 | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
The FAM labeled fluorescent probe (BRD-1F) was synthesized based on a known small-molecule BET bromodomain inhibitor. Kd values of BRD-1F to these th... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM50092324
(CHEMBL3581655 | US9675697, Cpd. No. 1)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)noc3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)| Show InChI InChI=1S/C22H20N4O3/c1-10-19(12(3)28-25-10)15-8-17-14(9-18(15)27-5)21-16(24-17)6-7-23-22(21)20-11(2)26-29-13(20)4/h6-9,24H,1-5H3 | PDB
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| 35 | -42.6 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179474
(US9675697, Cpd. No. 25)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nnc3-c3ccccc3)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;5.11,-.9,;3.7,-.27,;3.31,1.22,;2.06,2.12,;.57,1.72,;2.54,3.59,;4.08,3.59,;4.55,2.12,;6.04,1.72,;6.36,.22,;7.82,-.26,;8.97,.77,;8.65,2.28,;7.18,2.76,;2.46,-1.17,)| | PDB
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| US Patent
| 38 | -42.4 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM50092318
(CHEMBL3581657 | US9675697, Cpd. No. 2)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-1.3,.87,)| Show InChI InChI=1S/C20H17N5O2/c1-10-18(11(2)27-25-10)14-6-16-13(7-17(14)26-3)19-15(24-16)4-5-21-20(19)12-8-22-23-9-12/h4-9,24H,1-3H3,(H,22,23) | PDB
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| 42.3 | -42.1 | 286 | n/a | n/a | n/a | n/a | 7.5 | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
The FAM labeled fluorescent probe (BRD-1F) was synthesized based on a known small-molecule BET bromodomain inhibitor. Kd values of BRD-1F to these th... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179640
(US9675697, Cpd. No. 352)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn(nc3C)-c3ccccc3)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;5.11,-.9,;3.7,-.27,;3.31,1.22,;4.55,2.12,;4.08,3.59,;2.54,3.59,;2.06,2.12,;.57,1.72,;4.98,4.83,;6.51,4.67,;7.42,5.92,;6.79,7.33,;5.26,7.49,;4.35,6.24,;2.46,-1.17,)| Show InChI InChI=1S/C27H23N5O2/c1-15-21(14-32(30-15)18-8-6-5-7-9-18)27-26-19-13-24(33-4)20(25-16(2)31-34-17(25)3)12-23(19)29-22(26)10-11-28-27/h5-14,29H,1-4H3 | PDB
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| US Patent
| 53 | -41.5 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179458
(US9675697, Cpd. No. 4)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cccnc3)c21 |(-1.12,2.92,;-1.75,1.51,;-.98,.18,;.56,.18,;1.33,-1.16,;.56,-2.49,;-.98,-2.49,;-1.75,-1.16,;-3.29,-1.16,;-4.19,-2.4,;-3.79,-3.89,;-5.65,-1.93,;-5.65,-.39,;-4.19,.09,;-3.79,1.58,;1.6,-3.64,;3,-3.01,;4.41,-3.64,;5.65,-2.73,;5.49,-1.2,;4.09,-.57,;3.69,.92,;4.78,2,;4.38,3.49,;2.89,3.89,;1.8,2.8,;2.2,1.31,;2.84,-1.48,)| Show InChI InChI=1S/C22H18N4O2/c1-12-20(13(2)28-26-12)16-9-18-15(10-19(16)27-3)21-17(25-18)6-8-24-22(21)14-5-4-7-23-11-14/h4-11,25H,1-3H3 | PDB
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| 57 | -41.3 | 349 | n/a | n/a | n/a | n/a | 7.5 | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
The FAM labeled fluorescent probe (BRD-1F) was synthesized based on a known small-molecule BET bromodomain inhibitor. Kd values of BRD-1F to these th... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM50092323
(CHEMBL3581656 | US9675697, Cpd. No. 21)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)| Show InChI InChI=1S/C22H21N5O2/c1-10-19(11(2)26-25-10)22-21-14-9-18(28-5)15(20-12(3)27-29-13(20)4)8-17(14)24-16(21)6-7-23-22/h6-9,24H,1-5H3,(H,25,26) | PDB
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| 58 | -41.3 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM50092324
(CHEMBL3581655 | US9675697, Cpd. No. 1)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)noc3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)| Show InChI InChI=1S/C22H20N4O3/c1-10-19(12(3)28-25-10)15-8-17-14(9-18(15)27-5)21-16(24-17)6-7-23-22(21)20-11(2)26-29-13(20)4/h6-9,24H,1-5H3 | PDB
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| 70 | -40.8 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM50092318
(CHEMBL3581657 | US9675697, Cpd. No. 2)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-1.3,.87,)| Show InChI InChI=1S/C20H17N5O2/c1-10-18(11(2)27-25-10)14-6-16-13(7-17(14)26-3)19-15(24-16)4-5-21-20(19)12-8-22-23-9-12/h4-9,24H,1-3H3,(H,22,23) | PDB
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| 90 | -40.2 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM50092316
(CHEMBL3581658 | US9675697, Cpd. No. 24)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(C)c3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-4.24,6.66,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)| Show InChI InChI=1S/C23H23N5O2/c1-11-20(13(3)28(5)26-11)23-22-15-10-19(29-6)16(21-12(2)27-30-14(21)4)9-18(15)25-17(22)7-8-24-23/h7-10,25H,1-6H3 | PDB
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| 92 | -40.2 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM179640
(US9675697, Cpd. No. 352)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn(nc3C)-c3ccccc3)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;5.11,-.9,;3.7,-.27,;3.31,1.22,;4.55,2.12,;4.08,3.59,;2.54,3.59,;2.06,2.12,;.57,1.72,;4.98,4.83,;6.51,4.67,;7.42,5.92,;6.79,7.33,;5.26,7.49,;4.35,6.24,;2.46,-1.17,)| Show InChI InChI=1S/C27H23N5O2/c1-15-21(14-32(30-15)18-8-6-5-7-9-18)27-26-19-13-24(33-4)20(25-16(2)31-34-17(25)3)12-23(19)29-22(26)10-11-28-27/h5-14,29H,1-4H3 | PDB
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| US Patent
| 98 | -40.0 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM50092323
(CHEMBL3581656 | US9675697, Cpd. No. 21)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)| Show InChI InChI=1S/C22H21N5O2/c1-10-19(11(2)26-25-10)22-21-14-9-18(28-5)15(20-12(3)27-29-13(20)4)8-17(14)24-16(21)6-7-23-22/h6-9,24H,1-5H3,(H,25,26) | PDB
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| 100 | -40.0 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM50092330
(CHEMBL3581649 | US9675697, RX-3)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(Cl)c21 |(5.4,2.98,;5.4,1.69,;4.01,.88,;2.65,1.65,;1.32,.88,;1.32,-.65,;2.65,-1.41,;4.01,-.65,;5.4,-1.46,;5.55,-3.05,;4.58,-3.9,;7.12,-3.38,;7.92,-1.99,;6.85,-.79,;7.11,.47,;,-1.41,;-1.32,-.65,;-2.67,-1.41,;-3.97,-.65,;-3.97,.88,;-2.67,1.65,;-2.68,2.94,;-1.32,.88,)| Show InChI InChI=1S/C17H14ClN3O2/c1-8-15(9(2)23-21-8)11-6-13-10(7-14(11)22-3)16-12(20-13)4-5-19-17(16)18/h4-7,20H,1-3H3 | PDB
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| 109 | -39.7 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM50092316
(CHEMBL3581658 | US9675697, Cpd. No. 24)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(C)c3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-4.24,6.66,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)| Show InChI InChI=1S/C23H23N5O2/c1-11-20(13(3)28(5)26-11)23-22-15-10-19(29-6)16(21-12(2)27-30-14(21)4)9-18(15)25-17(22)7-8-24-23/h7-10,25H,1-6H3 | PDB
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| 134 | -39.2 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM50092330
(CHEMBL3581649 | US9675697, RX-3)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(Cl)c21 |(5.4,2.98,;5.4,1.69,;4.01,.88,;2.65,1.65,;1.32,.88,;1.32,-.65,;2.65,-1.41,;4.01,-.65,;5.4,-1.46,;5.55,-3.05,;4.58,-3.9,;7.12,-3.38,;7.92,-1.99,;6.85,-.79,;7.11,.47,;,-1.41,;-1.32,-.65,;-2.67,-1.41,;-3.97,-.65,;-3.97,.88,;-2.67,1.65,;-2.68,2.94,;-1.32,.88,)| Show InChI InChI=1S/C17H14ClN3O2/c1-8-15(9(2)23-21-8)11-6-13-10(7-14(11)22-3)16-12(20-13)4-5-19-17(16)18/h4-7,20H,1-3H3 | PDB
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| 194 | -38.3 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM50092318
(CHEMBL3581657 | US9675697, Cpd. No. 2)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-1.3,.87,)| Show InChI InChI=1S/C20H17N5O2/c1-10-18(11(2)27-25-10)14-6-16-13(7-17(14)26-3)19-15(24-16)4-5-21-20(19)12-8-22-23-9-12/h4-9,24H,1-3H3,(H,22,23) | PDB
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| 201 | -38.2 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2 [364-436]
(Homo sapiens (Human)) | BDBM50092339
(CHEMBL3581648 | US9675697, RX-7)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccncc21 |(5.4,2.98,;5.4,1.69,;4.01,.88,;2.65,1.65,;1.32,.88,;1.32,-.65,;2.65,-1.41,;4.01,-.65,;5.4,-1.46,;5.55,-3.05,;4.58,-3.9,;7.12,-3.38,;7.92,-1.99,;6.85,-.79,;7.11,.47,;,-1.41,;-1.32,-.65,;-2.67,-1.41,;-3.97,-.65,;-3.97,.88,;-2.67,1.65,;-1.32,.88,)| Show InChI InChI=1S/C17H15N3O2/c1-9-17(10(2)22-20-9)12-6-15-11(7-16(12)21-3)13-8-18-5-4-14(13)19-15/h4-8,19H,1-3H3 | PDB
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| 366 | -36.7 | 1.35E+3 | n/a | n/a | n/a | n/a | 7.5 | 25 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN
US Patent
| Assay Description
The FAM labeled fluorescent probe (BRD-1F) was synthesized based on a known small-molecule BET bromodomain inhibitor. Kd values of BRD-1F to these th... |
US Patent US9675697 (2017)
BindingDB Entry DOI: 10.7270/Q2CC0XV6 |
More data for this
Ligand-Target Pair | |
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