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Compile Data Set for Download or QSAR

Found 3 hits of kd data for polymerid = 4753   
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
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50259983
PNG
(CHEMBL508791 | US10106521, Compound Dieckol | diec...)
Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(Oc5c(O)cc(Oc6c(O)cc(O)c7Oc8cc(O)cc(O)c8Oc67)cc5O)cc(O)c4Oc23)c1
Show InChI InChI=1S/C36H22O18/c37-12-1-13(38)3-15(2-12)49-31-22(44)10-25(47)34-35(31)54-30-21(43)8-17(9-27(30)52-34)48-28-19(41)6-16(7-20(28)42)50-32-23(45)11-24(46)33-36(32)53-29-18(40)4-14(39)5-26(29)51-33/h1-11,37-47H
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEBI
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 1.03E+4n/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to SARS coronavirus 3C-like protease by SPR analysis


Bioorg Med Chem 21: 3730-7 (2013)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM154573
PNG
(8-(trifluoromethyl)-9H-purin-6-amine (4) | jm5b014...)
Show SMILES Nc1ncnc2[nH]c(nc12)C(F)(F)F
Show InChI InChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
PubMed
n/an/an/a 2.13E+4n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate by SPR analysis


Bioorg Med Chem 22: 167-77 (2014)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM23418
PNG
((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...)
Show SMILES COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEBI
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/an/a 2.45E+4n/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to SARS coronavirus 3C-like protease by SPR analysis


Bioorg Med Chem 21: 3730-7 (2013)

More data for this
Ligand-Target Pair