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PubMed code 19534534

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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Article
PubMed
n/an/a<2.00E+3n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of LSD1


J Med Chem 52: 4551-73 (2009)


Article DOI: 10.1021/jm900187v
BindingDB Entry DOI: 10.7270/Q2RB77DT
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM19410
PNG
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of HDAC from human HeLa cells assessed as of histone H3 acetylation


J Med Chem 52: 4551-73 (2009)


Article DOI: 10.1021/jm900187v
BindingDB Entry DOI: 10.7270/Q2RB77DT
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50478255
PNG
(CHEMBL263393)
Show SMILES CC(C)(C)c1ccc(CNCCCCNCCCNC(=O)CCCCCCC(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1
Show InChI InChI=1S/C40H58N6O3/c1-40(2,3)34-23-19-31(20-24-34)29-43-26-11-10-25-42-27-12-28-44-37(47)15-6-4-5-7-16-38(48)45-30-32-17-21-33(22-18-32)39(49)46-36-14-9-8-13-35(36)41/h8-9,13-14,17-24,42-43H,4-7,10-12,15-16,25-30,41H2,1-3H3,(H,44,47)(H,45,48)(H,46,49)
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PC cid
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Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of HDAC from human HeLa cells assessed as of histone H3 acetylation


J Med Chem 52: 4551-73 (2009)


Article DOI: 10.1021/jm900187v
BindingDB Entry DOI: 10.7270/Q2RB77DT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%