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Compile Data Set for Download or QSAR

Found 3 hits of ki for UniProtKB: O60341   
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
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236453
PNG
(CHEMBL4068323)
Show SMILES CN1CCC(CC1)Oc1ccc(OCc2ccccc2NC(=O)c2cc3sccc3n2C)cc1
Show InChI InChI=1S/C27H29N3O3S/c1-29-14-11-22(12-15-29)33-21-9-7-20(8-10-21)32-18-19-5-3-4-6-23(19)28-27(31)25-17-26-24(30(25)2)13-16-34-26/h3-10,13,16-17,22H,11-12,14-15,18H2,1-2H3,(H,28,31)
PDB
MMDB

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
2.30E+3n/an/an/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-glucosidase of sweet almond


J Med Chem 60: 1693-1715 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01019
BindingDB Entry DOI: 10.7270/Q22809VX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236360
PNG
(CHEMBL4066708)
Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1
Show InChI InChI=1S/C16H16N2O2S/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19)
PDB
MMDB

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
4.30E+4n/an/an/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using H3K4me1 peptide as substrate preincubated fo...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A/REST corepressor 1


(Homo sapiens (Human))
BDBM50236359
PNG
(CHEMBL4086085)
Show SMILES CC(=O)c1ccc(CN2CCC3(C2)CCNCC3)cc1
Show InChI InChI=1S/C17H24N2O/c1-14(20)16-4-2-15(3-5-16)12-19-11-8-17(13-19)6-9-18-10-7-17/h2-5,18H,6-13H2,1H3
PDB
MMDB

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.84E+4n/an/an/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using H3K4me1 peptide as substrate preincubated for 15...


J Med Chem 60: 1673-1692 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN
More data for this
Ligand-Target Pair