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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone H3.1' AND taxid = 9606   
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
Histone H3.1


(Homo sapiens (Human))
BDBM50248375
PNG
(CHEMBL491688 | N-hydroxy-3-(2-phenethyl-1-(3,4,5-t...)
Show SMILES COc1cc(Cn2c(CCc3ccccc3)nc3cc(\C=C\C(=O)NO)ccc23)cc(OC)c1OC
Show InChI InChI=1S/C28H29N3O5/c1-34-24-16-21(17-25(35-2)28(24)36-3)18-31-23-12-9-20(11-14-27(32)30-33)15-22(23)29-26(31)13-10-19-7-5-4-6-8-19/h4-9,11-12,14-17,33H,10,13,18H2,1-3H3,(H,30,32)/b14-11+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/an/an/a 1.70E+3n/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
To determine EC50 where acetylated histone 3 was induced by 50%, Colo205 cells was cultivated in 96 well plate at 1.5105 cells/well for 24 h. Colo20...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone H3.1


(Homo sapiens (Human))
BDBM50248522
PNG
(CHEMBL489332 | N-hydroxy-3-(2-phenethyl-1-(2-(pipe...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCCCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H30N4O2/c30-25(27-31)14-11-21-9-12-23-22(19-21)26-24(13-10-20-7-3-1-4-8-20)29(23)18-17-28-15-5-2-6-16-28/h1,3-4,7-9,11-12,14,19,31H,2,5-6,10,13,15-18H2,(H,27,30)/b14-11+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/an/an/a 500n/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
To determine EC50 where acetylated histone 3 was induced by 50%, Colo205 cells was cultivated in 96 well plate at 1.5105 cells/well for 24 h. Colo20...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair
Histone H3.1


(Homo sapiens (Human))
BDBM50248570
PNG
(3-(1-(3-(dimethylamino)-2,2-dimethylpropyl)-2-phen...)
Show SMILES CN(C)CC(C)(C)Cn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C25H32N4O2/c1-25(2,17-28(3)4)18-29-22-13-10-20(12-15-24(30)27-31)16-21(22)26-23(29)14-11-19-8-6-5-7-9-19/h5-10,12-13,15-16,31H,11,14,17-18H2,1-4H3,(H,27,30)/b15-12+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/an/an/a 1.10E+3n/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
To determine EC50 where acetylated histone 3 was induced by 50%, Colo205 cells was cultivated in 96 well plate at 1.5105 cells/well for 24 h. Colo20...


US Patent US10201527 (2019)

More data for this
Ligand-Target Pair