Found 2 hits for monomerid = 205441 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 testis 1 (BRDT(1))
(Homo sapiens (Human)) | BDBM205441
(6S+IBET-PEG7 (22))Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)c3cnc2cc1-c1c(C)noc1C |r,wD:49.49,7.7,c:51,(51.33,-.89,;50,-.12,;48.67,.65,;47.33,-.12,;46,.65,;44.66,-.12,;44.19,-1.59,;45.19,-2.52,;46.73,-2.14,;44.75,-3.69,;43.21,-3.69,;42.44,-5.03,;43.21,-6.36,;44.75,-6.36,;45.52,-5.03,;42.65,-1.59,;41.88,-2.92,;42.17,-.12,;40.84,.65,;39.75,-.44,;39.64,-2.53,;38.31,.33,;36.76,-.57,;35.42,.2,;34.09,-.57,;32.76,.2,;31.42,-.57,;30.09,.2,;28.75,-.57,;27.42,.2,;26.09,-.57,;24.75,.2,;23.97,-.57,;22.33,.52,;20.78,-.58,;19.77,.19,;18.11,-.58,;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,;43.33,.65,;43.33,2.19,;44.66,2.96,;46,2.19,;47.33,2.96,;48.67,2.19,;50,2.96,;51.33,2.19,;51.33,.65,;52.42,3.28,;51.72,4.65,;50.2,4.41,;49.11,5.5,)| Show InChI InChI=1S/C60H72ClN11O12S/c1-37-41(5)85-59-54(37)56(43-11-13-44(61)14-12-43)66-49(58-68-67-42(6)72(58)59)34-52(73)63-16-18-77-20-22-79-24-26-81-28-30-83-31-29-82-27-25-80-23-21-78-19-17-64-53(74)36-70-50-35-65-48-32-46(55-38(2)69-84-40(55)4)51(76-7)33-45(48)57(50)71(60(70)75)39(3)47-10-8-9-15-62-47/h8-15,32-33,35,39,49H,16-31,34,36H2,1-7H3,(H,63,73)(H,64,74)/t39-,49+/m1/s1 | PDB
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.10 | 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)) | BDBM205441
(6S+IBET-PEG7 (22))Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)c3cnc2cc1-c1c(C)noc1C |r,wD:49.49,7.7,c:51,(51.33,-.89,;50,-.12,;48.67,.65,;47.33,-.12,;46,.65,;44.66,-.12,;44.19,-1.59,;45.19,-2.52,;46.73,-2.14,;44.75,-3.69,;43.21,-3.69,;42.44,-5.03,;43.21,-6.36,;44.75,-6.36,;45.52,-5.03,;42.65,-1.59,;41.88,-2.92,;42.17,-.12,;40.84,.65,;39.75,-.44,;39.64,-2.53,;38.31,.33,;36.76,-.57,;35.42,.2,;34.09,-.57,;32.76,.2,;31.42,-.57,;30.09,.2,;28.75,-.57,;27.42,.2,;26.09,-.57,;24.75,.2,;23.97,-.57,;22.33,.52,;20.78,-.58,;19.77,.19,;18.11,-.58,;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,;43.33,.65,;43.33,2.19,;44.66,2.96,;46,2.19,;47.33,2.96,;48.67,2.19,;50,2.96,;51.33,2.19,;51.33,.65,;52.42,3.28,;51.72,4.65,;50.2,4.41,;49.11,5.5,)| Show InChI InChI=1S/C60H72ClN11O12S/c1-37-41(5)85-59-54(37)56(43-11-13-44(61)14-12-43)66-49(58-68-67-42(6)72(58)59)34-52(73)63-16-18-77-20-22-79-24-26-81-28-30-83-31-29-82-27-25-80-23-21-78-19-17-64-53(74)36-70-50-35-65-48-32-46(55-38(2)69-84-40(55)4)51(76-7)33-45(48)57(50)71(60(70)75)39(3)47-10-8-9-15-62-47/h8-15,32-33,35,39,49H,16-31,34,36H2,1-7H3,(H,63,73)(H,64,74)/t39-,49+/m1/s1 | PDB
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11.5 | 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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