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BDBM200660 US9233086, 3C

SMILES: CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(C)=O)C(N)=O

InChI Key: InChIKey=PMPDLRCLLCLMQA-DLOVCJGASA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 200660   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM200660
PNG
(US9233086, 3C)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C16H31N7O4/c1-8(2)12(13(17)25)23-15(27)11(6-5-7-20-16(18)19)22-14(26)9(3)21-10(4)24/h8-9,11-12H,5-7H2,1-4H3,(H2,17,25)(H,21,24)(H,22,26)(H,23,27)(H4,18,19,20)/t9-,11-,12-/m0/s1
PDB
MMDB

B.MOAD
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KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/a6.525



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
N-terminal His-tagged WDR5Δ23 (residues 24-334) was expressed from the pET28-MHL vector in Rosetta2(DE3) pLysS cells (Novagen). Cells were grown...


US Patent US9233086 (2016)


BindingDB Entry DOI: 10.7270/Q27943GX
More data for this
Ligand-Target Pair