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BDBM7968 2-aminoethane-1-thiol::Cysteamine

SMILES: NCCS

InChI Key: InChIKey=UFULAYFCSOUIOV-UHFFFAOYSA-N

Data: 1 KI  3 IC50

PDB links: 7 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 7968   
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
Glutaminyl Cyclase


(Mus musculus (mouse))
BDBM7968
PNG
(2-aminoethane-1-thiol | Cysteamine)
Show InChI InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
PDB
MMDB

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PubMed
4.20E+4 -6.07n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


Biochemistry 44: 13415-24 (2005)


Article DOI: 10.1021/bi051142e
BindingDB Entry DOI: 10.7270/Q21834QW
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM7968
PNG
(2-aminoethane-1-thiol | Cysteamine)
Show InChI InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM7968
PNG
(2-aminoethane-1-thiol | Cysteamine)
Show InChI InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
PDB
MMDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)


BindingDB Entry DOI: 10.7270/Q24Q7XKJ
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM7968
PNG
(2-aminoethane-1-thiol | Cysteamine)
Show InChI InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
PDB

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Article
PubMed
n/an/a 3.31E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair