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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cystathionine gamma-lyase' and Ligand = 'BDBM112635'   
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
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM112635
PNG
((−)-Euonyquinone C (8) | (+)-Euonyquinone C ...)
Show SMILES COc1cc(CC=C(c2cc(O)c(OC)cc2O)c2c(OC)cc3OC(CCc3c2O)c2ccc(O)c(O)c2)ccc1O |w:6.5|
Show InChI InChI=1S/C33H32O10/c1-40-29-12-17(5-9-23(29)35)4-7-19(21-14-26(38)30(41-2)15-24(21)36)32-31(42-3)16-28-20(33(32)39)8-11-27(43-28)18-6-10-22(34)25(37)13-18/h5-7,9-10,12-16,27,34-39H,4,8,11H2,1-3H3
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/a7.037



Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology



Assay Description
500 nM hCSE in optimal buffer (50 mM Hepes, pH 7.0; final concentration) was incubated with compound for 45 min in the 192-tandem-well plate before a...


ACS Chem Biol 9: 897-903 (2014)


Article DOI: 10.1021/cb500009r
BindingDB Entry DOI: 10.7270/Q2S75F0F
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM112635
PNG
((−)-Euonyquinone C (8) | (+)-Euonyquinone C ...)
Show SMILES COc1cc(CC=C(c2cc(O)c(OC)cc2O)c2c(OC)cc3OC(CCc3c2O)c2ccc(O)c(O)c2)ccc1O |w:6.5|
Show InChI InChI=1S/C33H32O10/c1-40-29-12-17(5-9-23(29)35)4-7-19(21-14-26(38)30(41-2)15-24(21)36)32-31(42-3)16-28-20(33(32)39)8-11-27(43-28)18-6-10-22(34)25(37)13-18/h5-7,9-10,12-16,27,34-39H,4,8,11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/a7.037



Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology



Assay Description
500 nM hCSE in optimal buffer (50 mM Hepes, pH 7.0; final concentration) was incubated with compound for 45 min in the 192-tandem-well plate before a...


ACS Chem Biol 9: 897-903 (2014)


Article DOI: 10.1021/cb500009r
BindingDB Entry DOI: 10.7270/Q2S75F0F
More data for this
Ligand-Target Pair