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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4 (BRD4)' and Ligand = 'BDBM205455'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM205455
PNG
((6S+6S)-PEG1 (4))
Show SMILES Cc1sc-2c(c1C)C(=N[C@H](CC(=O)NCCOCCNC(=O)C[C@@H]1N=C(c3c(C)c(C)sc3-n3c(C)nnc13)c1ccc(Cl)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1
Show InChI InChI=1/C42H42Cl2N10O3S2/c1-21-23(3)58-41-35(21)37(27-7-11-29(43)12-8-27)47-31(39-51-49-25(5)53(39)41)19-33(55)45-15-17-57-18-16-46-34(56)20-32-40-52-50-26(6)54(40)42-36(22(2)24(4)59-42)38(48-32)28-9-13-30(44)14-10-28/h7-14,31-32H,15-20H2,1-6H3,(H,45,55)(H,46,56)/t31-,32+
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 158n/an/an/an/a7.525



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