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Compile Data Set for Download or QSAR

Found 4 hits of kd data for polymerid = 50000491   
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
Genome polyprotein


(Zika virus)
BDBM50609346
PNG
(CHEMBL5271158)
Show SMILES Cc1ncnc2n(cc(C#Cc3ccc(Br)c(F)c3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)F |r|
PDB
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n/an/an/a 1.87E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Genome polyprotein


(Zika virus)
BDBM50513996
PNG
(CHEBI:15414 | CHEMBL224120)
Show SMILES C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.58E+3n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to Zika virus Methyltransferase


J Med Chem 63: 470-489 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00775
BindingDB Entry DOI: 10.7270/Q2RX9GFS
More data for this
Ligand-Target Pair
Genome polyprotein


(Zika virus)
BDBM50513993
PNG
(CHEMBL1630221 | NITD008)
Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@]1(O)C#C |r|
Show InChI InChI=1S/C13H14N4O4/c1-2-13(20)9(19)8(5-18)21-12(13)17-4-3-7-10(14)15-6-16-11(7)17/h1,3-4,6,8-9,12,18-20H,5H2,(H2,14,15,16)/t8-,9-,12-,13-/m1/s1
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PC cid
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UniChem
n/an/an/a 3.43E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Genome polyprotein


(Zika virus)
BDBM50514002
PNG
(CHEMBL4518968)
Show SMILES N[C@@H](CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)Cc1ccc(F)cc1)C(O)=O |r|
Show InChI InChI=1S/C21H26FN7O5/c22-12-3-1-11(2-4-12)7-28(6-5-13(23)21(32)33)8-14-16(30)17(31)20(34-14)29-10-27-15-18(24)25-9-26-19(15)29/h1-4,9-10,13-14,16-17,20,30-31H,5-8,23H2,(H,32,33)(H2,24,25,26)/t13-,14+,16+,17+,20+/m0/s1
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 2.43E+4n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to Zika virus Methyltransferase


J Med Chem 63: 470-489 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00775
BindingDB Entry DOI: 10.7270/Q2RX9GFS
More data for this
Ligand-Target Pair