Found 3 hits for monomerid = 205438 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Bromodomain-containing protein 4 (BRD4) (aa 44-168)
(Homo sapiens (Human)) | BDBM205438
(6S+IBET-PEG2 (19))Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCOCCNC(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)c3cnc2cc1-c1c(C)noc1C |r,wD:34.34,7.7,c:36,(31.86,-.67,;30.53,.1,;29.2,.87,;27.86,.1,;26.53,.87,;25.19,.1,;24.72,-1.37,;25.72,-2.3,;27.26,-1.92,;25.28,-3.47,;23.74,-3.47,;22.97,-4.81,;23.74,-6.14,;25.28,-6.14,;26.05,-4.81,;23.18,-1.37,;22.41,-2.7,;22.7,.1,;21.37,.87,;20.28,-.22,;20.72,-2.31,;18.4,-.66,;17.02,.51,;15.69,-.26,;14.6,.83,;13.26,.06,;11.93,.83,;10.6,.06,;9.26,.83,;7.93,.06,;6.84,1.15,;5.75,.06,;5.75,-1.48,;4.66,1.15,;3.33,.38,;2.37,-.83,;.83,-.83,;-.13,.38,;-1.67,.38,;-2.76,-.71,;-2.15,1.84,;-3.48,2.61,;-.9,2.74,;.21,1.88,;1.6,2.54,;1.86,4.1,;.77,5.19,;3.38,4.34,;4.08,2.97,;2.99,1.88,;.06,-2.16,;-1.48,-2.16,;-2.25,-3.5,;-1.48,-4.83,;-2.25,-6.16,;.06,-4.83,;.83,-3.5,;23.86,.87,;23.86,2.41,;25.19,3.18,;26.53,2.41,;27.86,3.18,;29.2,2.41,;30.53,3.18,;31.86,2.41,;31.86,.87,;32.95,3.5,;32.25,4.87,;30.73,4.63,;29.64,5.72,)| Show InChI InChI=1S/C50H52ClN11O7S/c1-27-31(5)70-49-44(27)46(33-11-13-34(51)14-12-33)56-39(48-58-57-32(6)62(48)49)24-42(63)53-16-18-67-20-21-68-19-17-54-43(64)26-60-40-25-55-38-22-36(45-28(2)59-69-30(45)4)41(66-7)23-35(38)47(40)61(50(60)65)29(3)37-10-8-9-15-52-37/h8-15,22-23,25,29,39H,16-21,24,26H2,1-7H3,(H,53,63)(H,54,64)/t29-,39+/m1/s1 | PDB
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.0620 | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
| Assay Description
Refer to DiscoverX |
Nat Chem Biol 12: 1089-1096 (2016)
Article DOI: 10.1038/nchembio.2209
BindingDB Entry DOI: 10.7270/Q2VQ31HW |
More data for this
Ligand-Target Pair | |
Bromodomain testis 1 (BRDT(1))
(Homo sapiens (Human)) | BDBM205438
(6S+IBET-PEG2 (19))Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCOCCNC(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)c3cnc2cc1-c1c(C)noc1C |r,wD:34.34,7.7,c:36,(31.86,-.67,;30.53,.1,;29.2,.87,;27.86,.1,;26.53,.87,;25.19,.1,;24.72,-1.37,;25.72,-2.3,;27.26,-1.92,;25.28,-3.47,;23.74,-3.47,;22.97,-4.81,;23.74,-6.14,;25.28,-6.14,;26.05,-4.81,;23.18,-1.37,;22.41,-2.7,;22.7,.1,;21.37,.87,;20.28,-.22,;20.72,-2.31,;18.4,-.66,;17.02,.51,;15.69,-.26,;14.6,.83,;13.26,.06,;11.93,.83,;10.6,.06,;9.26,.83,;7.93,.06,;6.84,1.15,;5.75,.06,;5.75,-1.48,;4.66,1.15,;3.33,.38,;2.37,-.83,;.83,-.83,;-.13,.38,;-1.67,.38,;-2.76,-.71,;-2.15,1.84,;-3.48,2.61,;-.9,2.74,;.21,1.88,;1.6,2.54,;1.86,4.1,;.77,5.19,;3.38,4.34,;4.08,2.97,;2.99,1.88,;.06,-2.16,;-1.48,-2.16,;-2.25,-3.5,;-1.48,-4.83,;-2.25,-6.16,;.06,-4.83,;.83,-3.5,;23.86,.87,;23.86,2.41,;25.19,3.18,;26.53,2.41,;27.86,3.18,;29.2,2.41,;30.53,3.18,;31.86,2.41,;31.86,.87,;32.95,3.5,;32.25,4.87,;30.73,4.63,;29.64,5.72,)| Show InChI InChI=1S/C50H52ClN11O7S/c1-27-31(5)70-49-44(27)46(33-11-13-34(51)14-12-33)56-39(48-58-57-32(6)62(48)49)24-42(63)53-16-18-67-20-21-68-19-17-54-43(64)26-60-40-25-55-38-22-36(45-28(2)59-69-30(45)4)41(66-7)23-35(38)47(40)61(50(60)65)29(3)37-10-8-9-15-52-37/h8-15,22-23,25,29,39H,16-21,24,26H2,1-7H3,(H,53,63)(H,54,64)/t29-,39+/m1/s1 | PDB
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Dana-Farber Cancer Institute
| Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150... |
Nat Chem Biol 12: 1089-1096 (2016)
Article DOI: 10.1038/nchembio.2209
BindingDB Entry DOI: 10.7270/Q2VQ31HW |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 (BRD4) (aa 44-168)
(Homo sapiens (Human)) | BDBM205438
(6S+IBET-PEG2 (19))Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCOCCNC(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)c3cnc2cc1-c1c(C)noc1C |r,wD:34.34,7.7,c:36,(31.86,-.67,;30.53,.1,;29.2,.87,;27.86,.1,;26.53,.87,;25.19,.1,;24.72,-1.37,;25.72,-2.3,;27.26,-1.92,;25.28,-3.47,;23.74,-3.47,;22.97,-4.81,;23.74,-6.14,;25.28,-6.14,;26.05,-4.81,;23.18,-1.37,;22.41,-2.7,;22.7,.1,;21.37,.87,;20.28,-.22,;20.72,-2.31,;18.4,-.66,;17.02,.51,;15.69,-.26,;14.6,.83,;13.26,.06,;11.93,.83,;10.6,.06,;9.26,.83,;7.93,.06,;6.84,1.15,;5.75,.06,;5.75,-1.48,;4.66,1.15,;3.33,.38,;2.37,-.83,;.83,-.83,;-.13,.38,;-1.67,.38,;-2.76,-.71,;-2.15,1.84,;-3.48,2.61,;-.9,2.74,;.21,1.88,;1.6,2.54,;1.86,4.1,;.77,5.19,;3.38,4.34,;4.08,2.97,;2.99,1.88,;.06,-2.16,;-1.48,-2.16,;-2.25,-3.5,;-1.48,-4.83,;-2.25,-6.16,;.06,-4.83,;.83,-3.5,;23.86,.87,;23.86,2.41,;25.19,3.18,;26.53,2.41,;27.86,3.18,;29.2,2.41,;30.53,3.18,;31.86,2.41,;31.86,.87,;32.95,3.5,;32.25,4.87,;30.73,4.63,;29.64,5.72,)| Show InChI InChI=1S/C50H52ClN11O7S/c1-27-31(5)70-49-44(27)46(33-11-13-34(51)14-12-33)56-39(48-58-57-32(6)62(48)49)24-42(63)53-16-18-67-20-21-68-19-17-54-43(64)26-60-40-25-55-38-22-36(45-28(2)59-69-30(45)4)41(66-7)23-35(38)47(40)61(50(60)65)29(3)37-10-8-9-15-52-37/h8-15,22-23,25,29,39H,16-21,24,26H2,1-7H3,(H,53,63)(H,54,64)/t29-,39+/m1/s1 | PDB
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 58.6 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Dana-Farber Cancer Institute
| Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150... |
Nat Chem Biol 12: 1089-1096 (2016)
Article DOI: 10.1038/nchembio.2209
BindingDB Entry DOI: 10.7270/Q2VQ31HW |
More data for this
Ligand-Target Pair | |
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