Found 505 hits with Last Name = 'karatas' and Initial = 'h' 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 3 [326-398]
(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
| 0.650 | -52.4 | 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 3 [326-398]
(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
| 0.820 | -51.9 | 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 3 [326-398]
(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
| 1 | -51.4 | 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 3 [326-398]
(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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.10 | -51.1 | 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 3 [326-398]
(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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.20 | -50.9 | 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 3 [326-398]
(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
| 1.30 | -50.7 | 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 3 [326-398]
(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
| 1.30 | -50.7 | 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 3 [326-398]
(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
| 1.40 | -50.5 | 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)) | 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 3 [326-398]
(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
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 2.20 | -49.4 | 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 [91-163]
(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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| 2.20 | -49.4 | 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 3 [326-398]
(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 3 [326-398]
(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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| 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)) | 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
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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)) | 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
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| 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 | |
Menin
(Homo sapiens (Human)) | BDBM50489239
(CHEMBL2314823)Show SMILES C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C73H116N30O15/c1-39(59(109)98-50(24-13-31-89-73(83)84)67(117)102-32-14-25-53(102)64(114)91-38-56(107)101-57(40(2)104)66(116)92-37-55(106)95-48(22-11-29-87-71(79)80)61(111)96-46(58(74)108)20-9-27-85-69(75)76)93-65(115)54-26-15-33-103(54)68(118)52(34-42-16-5-4-6-17-42)100-62(112)49(23-12-30-88-72(81)82)97-63(113)51(35-43-36-90-45-19-8-7-18-44(43)45)99-60(110)47(94-41(3)105)21-10-28-86-70(77)78/h4-8,16-19,36,39-40,46-54,57,90,104H,9-15,20-35,37-38H2,1-3H3,(H2,74,108)(H,91,114)(H,92,116)(H,93,115)(H,94,105)(H,95,106)(H,96,111)(H,97,113)(H,98,109)(H,99,110)(H,100,112)(H,101,107)(H4,75,76,85)(H4,77,78,86)(H4,79,80,87)(H4,81,82,88)(H4,83,84,89)/t39-,40+,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-/m0/s1 | PDB
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to menin (unknown origin) after 60 mins by fluorescence polarization assay |
J Med Chem 56: 1113-23 (2013)
Article DOI: 10.1021/jm3015298
BindingDB Entry DOI: 10.7270/Q22B91XM |
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
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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 | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50318541
(Ac-ARAEVHLRKS-NH2 | CHEMBL1086450)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(C)=O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(N)=O |r,wU:31.32,47.48,4.4,70.70,18.19,wD:22.28,59.59,36.44,79.79,8.15,(21.79,-25.89,;21.79,-27.41,;23.15,-28.2,;20.43,-28.2,;20.43,-29.72,;19.13,-30.55,;17.79,-29.79,;17.79,-28.26,;16.47,-30.55,;16.47,-32.11,;17.79,-32.87,;19.19,-32.28,;20.22,-33.43,;19.44,-34.76,;17.94,-34.41,;15.13,-29.78,;13.8,-30.55,;13.8,-32.12,;12.45,-29.77,;11.12,-30.56,;9.78,-29.81,;9.78,-28.28,;8.46,-30.57,;8.46,-32.14,;9.78,-32.91,;9.78,-34.47,;8.43,-35.21,;11.1,-35.23,;7.14,-29.77,;5.82,-30.56,;5.82,-32.13,;4.47,-29.78,;4.47,-28.26,;3.12,-30.53,;1.77,-29.8,;1.77,-28.27,;.45,-30.56,;.45,-32.12,;1.77,-32.89,;1.77,-34.46,;3.12,-35.19,;3.1,-36.73,;1.73,-37.45,;4.43,-37.46,;-.87,-29.77,;-2.2,-30.53,;-2.2,-32.1,;-3.55,-29.75,;-3.55,-28.23,;-4.88,-30.52,;-6.21,-29.75,;-7.54,-30.52,;-6.21,-28.21,;12.45,-28.25,;13.8,-27.46,;11.12,-27.48,;21.79,-30.51,;21.79,-32.07,;23.13,-29.75,;24.46,-30.52,;24.46,-32.09,;25.78,-32.86,;25.78,-34.42,;27.12,-35.18,;27.06,-36.72,;25.73,-37.52,;28.41,-37.5,;25.78,-29.76,;25.78,-28.24,;27.12,-30.53,;28.43,-29.72,;28.43,-28.19,;29.78,-27.41,;29.78,-25.88,;31.14,-25.1,;31.19,-23.59,;29.78,-30.5,;29.78,-32.06,;31.13,-29.75,;32.46,-30.52,;32.46,-32.08,;33.78,-32.85,;33.78,-29.76,;35.14,-30.53,;33.78,-28.23,)| Show InChI InChI=1S/C51H90N20O14/c1-25(2)20-35(47(83)67-33(14-11-19-60-51(56)57)44(80)66-31(12-8-9-17-52)45(81)70-37(23-72)40(53)76)68-48(84)36(21-30-22-58-24-61-30)69-49(85)39(26(3)4)71-46(82)34(15-16-38(74)75)65-42(78)28(6)63-43(79)32(13-10-18-59-50(54)55)64-41(77)27(5)62-29(7)73/h22,24-28,31-37,39,72H,8-21,23,52H2,1-7H3,(H2,53,76)(H,58,61)(H,62,73)(H,63,79)(H,64,77)(H,65,78)(H,66,80)(H,67,83)(H,68,84)(H,69,85)(H,70,81)(H,71,82)(H,74,75)(H4,54,55,59)(H4,56,57,60)/t27-,28-,31-,32-,33-,34-,35-,36-,37-,39-/m0/s1 | PDB
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University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to WDR5 expressed in pLysS cells by optimized fluorescent polarization based competitive binding assay |
J Med Chem 53: 5179-85 (2010)
Article DOI: 10.1021/jm100139b
BindingDB Entry DOI: 10.7270/Q2086678 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3 [326-398]
(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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| 3.20 | -48.5 | 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 [91-163]
(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
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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 [91-163]
(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 3 [326-398]
(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)) | 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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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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| 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
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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 3 [326-398]
(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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| 4.20 | -47.8 | 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 [91-163]
(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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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
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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 [91-163]
(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
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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)) | 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
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| 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 | |
Menin
(Homo sapiens (Human)) | BDBM50489254
(CHEMBL2314819)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CCC1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H](N)CCCCCCCCNC2=O |r| Show InChI InChI=1S/C40H60F2N10O6/c41-26-21-25(22-27(42)24-26)23-30-37(57)52-20-9-14-32(52)35(55)50-40(15-10-16-40)38(58)49-29(12-7-18-47-39(44)45)36(56)51-19-8-13-31(51)34(54)46-17-6-4-2-1-3-5-11-28(43)33(53)48-30/h21-22,24,28-32H,1-20,23,43H2,(H,46,54)(H,48,53)(H,49,58)(H,50,55)(H4,44,45,47)/t28-,29-,30-,31-,32-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to menin (unknown origin) after 60 mins by fluorescence polarization assay |
J Med Chem 56: 1113-23 (2013)
Article DOI: 10.1021/jm3015298
BindingDB Entry DOI: 10.7270/Q22B91XM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3 [326-398]
(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)) | 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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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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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 3 [51-123]
(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
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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)) | 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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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 [91-163]
(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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UniChem
| US Patent
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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)) | 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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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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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 [91-163]
(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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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 [91-163]
(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
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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 [91-163]
(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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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 3 [51-123]
(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 [91-163]
(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 3 [51-123]
(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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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 | |
Menin
(Homo sapiens (Human)) | BDBM50489255
(CHEMBL2314816)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CCC1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@@H](N)CCCCCCCCNC2=O |r| Show InChI InChI=1S/C40H61FN10O6/c41-27-13-7-12-26(24-27)25-30-37(56)51-23-10-17-32(51)35(54)49-40(18-11-19-40)38(57)48-29(15-8-21-46-39(43)44)36(55)50-22-9-16-31(50)34(53)45-20-6-4-2-1-3-5-14-28(42)33(52)47-30/h7,12-13,24,28-32H,1-6,8-11,14-23,25,42H2,(H,45,53)(H,47,52)(H,48,57)(H,49,54)(H4,43,44,46)/t28-,29-,30-,31-,32-/m0/s1 | PDB
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| Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to menin (unknown origin) after 60 mins by fluorescence polarization assay |
J Med Chem 56: 1113-23 (2013)
Article DOI: 10.1021/jm3015298
BindingDB Entry DOI: 10.7270/Q22B91XM |
More data for this
Ligand-Target Pair | |
Menin
(Homo sapiens (Human)) | BDBM50489248
(CHEMBL2314833)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCCCCNC2=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r| Show InChI InChI=1S/C57H84N16O9/c1-35-48(75)69-43(24-15-29-64-57(60)61)54(81)72-30-16-25-46(72)52(79)62-27-13-6-4-3-5-10-22-42(50(77)71-45(32-37-18-8-7-9-19-37)55(82)73-31-17-26-47(73)53(80)66-35)68-51(78)44(33-38-34-65-40-21-12-11-20-39(38)40)70-49(76)41(67-36(2)74)23-14-28-63-56(58)59/h7-9,11-12,18-21,34-35,41-47,65H,3-6,10,13-17,22-33H2,1-2H3,(H,62,79)(H,66,80)(H,67,74)(H,68,78)(H,69,75)(H,70,76)(H,71,77)(H4,58,59,63)(H4,60,61,64)/t35-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
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| Article
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| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to menin (unknown origin) after 60 mins by fluorescence polarization assay |
J Med Chem 56: 1113-23 (2013)
Article DOI: 10.1021/jm3015298
BindingDB Entry DOI: 10.7270/Q22B91XM |
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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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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| PC cid
PC sid
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 |
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Ligand-Target Pair | |
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