Found 2 hits for monomerid = 205439 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)) | BDBM205439
(6S+IBET-PEG3 (20))Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCOCCOCCNC(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)c3cnc2cc1-c1c(C)noc1C |r,wD:37.37,7.7,c:39,(35.71,-1.55,;34.38,-.78,;33.05,-.01,;31.71,-.78,;30.38,-.01,;29.04,-.78,;28.57,-2.25,;29.57,-3.18,;31.11,-2.8,;29.13,-4.35,;27.59,-4.35,;26.82,-5.69,;27.59,-7.02,;29.13,-7.02,;29.9,-5.69,;27.03,-2.25,;26.26,-3.58,;26.55,-.78,;25.22,-.01,;24.13,-1.1,;24.02,-3.19,;22.36,.11,;20.78,-.58,;19.44,.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,;27.71,-.01,;27.71,1.53,;29.04,2.3,;30.38,1.53,;31.71,2.3,;33.05,1.53,;34.38,2.3,;35.71,1.53,;35.71,-.01,;36.8,2.62,;36.1,3.99,;34.58,3.75,;33.49,4.84,)| Show InChI InChI=1S/C52H56ClN11O8S/c1-29-33(5)73-51-46(29)48(35-11-13-36(53)14-12-35)58-41(50-60-59-34(6)64(50)51)26-44(65)55-16-18-69-20-22-71-23-21-70-19-17-56-45(66)28-62-42-27-57-40-24-38(47-30(2)61-72-32(47)4)43(68-7)25-37(40)49(42)63(52(62)67)31(3)39-10-8-9-15-54-39/h8-15,24-25,27,31,41H,16-23,26,28H2,1-7H3,(H,55,65)(H,56,66)/t31-,41+/m1/s1 | PDB
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.78 | 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)) | BDBM205439
(6S+IBET-PEG3 (20))Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCOCCOCCNC(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)c3cnc2cc1-c1c(C)noc1C |r,wD:37.37,7.7,c:39,(35.71,-1.55,;34.38,-.78,;33.05,-.01,;31.71,-.78,;30.38,-.01,;29.04,-.78,;28.57,-2.25,;29.57,-3.18,;31.11,-2.8,;29.13,-4.35,;27.59,-4.35,;26.82,-5.69,;27.59,-7.02,;29.13,-7.02,;29.9,-5.69,;27.03,-2.25,;26.26,-3.58,;26.55,-.78,;25.22,-.01,;24.13,-1.1,;24.02,-3.19,;22.36,.11,;20.78,-.58,;19.44,.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,;27.71,-.01,;27.71,1.53,;29.04,2.3,;30.38,1.53,;31.71,2.3,;33.05,1.53,;34.38,2.3,;35.71,1.53,;35.71,-.01,;36.8,2.62,;36.1,3.99,;34.58,3.75,;33.49,4.84,)| Show InChI InChI=1S/C52H56ClN11O8S/c1-29-33(5)73-51-46(29)48(35-11-13-36(53)14-12-35)58-41(50-60-59-34(6)64(50)51)26-44(65)55-16-18-69-20-22-71-23-21-70-19-17-56-45(66)28-62-42-27-57-40-24-38(47-30(2)61-72-32(47)4)43(68-7)25-37(40)49(42)63(52(62)67)31(3)39-10-8-9-15-54-39/h8-15,24-25,27,31,41H,16-23,26,28H2,1-7H3,(H,55,65)(H,56,66)/t31-,41+/m1/s1 | PDB
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27.4 | 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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