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BDBM50441633 4-Hydroxyisocordoin::ISOBAVACHALCONE::Isobacachalcone::Isobavachalcone (3)

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2)c1-[#8]

InChI Key: InChIKey=DUWPGRAKHMEPCM-IZZDOVSWSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50441633   
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
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50441633
PNG
(4-Hydroxyisocordoin | ISOBAVACHALCONE | Isobacacha...)
Show SMILES CC(C)=CCc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O
Show InChI InChI=1S/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.90E+3n/a 7.30E+3n/an/an/an/a8.0n/a



Gyeongsang National University



Assay Description
Reactions were performed in a total volume of 200 mL, which contained thefollowing components: 20mM Tris-buffer, pH 8.0, 10mM DTT, 30 mM Z-RLRGG-AMC,...


J Enzyme Inhib Med Chem 29: 59-63 (2014)


Article DOI: 10.3109/14756366.2012.753591
BindingDB Entry DOI: 10.7270/Q21835FQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50441633
PNG
(4-Hydroxyisocordoin | ISOBAVACHALCONE | Isobacacha...)
Show SMILES CC(C)=CCc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O
Show InChI InChI=1S/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.73E+4n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate


Bioorg Med Chem Lett 23: 5836-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.102
BindingDB Entry DOI: 10.7270/Q28W3FQ0
More data for this
Ligand-Target Pair
PLpro/Z-RLRGG-AMC


(Human SARS coronavirus (SARS-CoV))
BDBM50441633
PNG
(4-Hydroxyisocordoin | ISOBAVACHALCONE | Isobacacha...)
Show SMILES CC(C)=CCc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O
Show InChI InChI=1S/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.10E+3n/an/an/an/an/an/a8.0n/a



Gyeongsang National University



Assay Description
Reactions were performed in a total volume of 200 mL, which contained thefollowing components: 20mM Tris-buffer, pH 8.0, 10mM DTT, 30 mM Z-RLRGG-AMC,...


J Enzyme Inhib Med Chem 29: 59-63 (2014)


Article DOI: 10.3109/14756366.2012.753591
BindingDB Entry DOI: 10.7270/Q21835FQ
More data for this
Ligand-Target Pair