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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50017058   
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
Polymerase acidic protein


(Hepatitis C virus)
BDBM50599446
PNG
(CHEMBL5173626)
Show SMILES Oc1ccc(C[C@@H]2N(C=O)[C@@H](Cc3cc(O)c(O)cc23)C(=O)Oc2ccccc2Br)cc1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113929
BindingDB Entry DOI: 10.7270/Q2DZ0DBF
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50599445
PNG
(CHEMBL5206517)
Show SMILES Oc1ccc(C[C@@H]2N(C=O)[C@@H](Cc3cc(O)c(O)cc23)C(=O)Oc2ccccc2Cl)cc1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 280n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113929
BindingDB Entry DOI: 10.7270/Q2DZ0DBF
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50599444
PNG
(CHEMBL5183391)
Show SMILES Oc1ccc(C[C@@H]2N(C=O)[C@@H](Cc3cc(O)c(O)cc23)C(=O)Oc2ccccc2F)cc1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 370n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113929
BindingDB Entry DOI: 10.7270/Q2DZ0DBF
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50599443
PNG
(CHEMBL5195503)
Show SMILES Oc1ccc(C[C@@H]2N(C=O)[C@@H](Cc3cc(O)c(O)cc23)C(=O)Oc2ccccc2)cc1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 450n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113929
BindingDB Entry DOI: 10.7270/Q2DZ0DBF
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50599442
PNG
(CHEMBL5180810)
Show SMILES COC(=O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C(=O)C(F)(F)F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113929
BindingDB Entry DOI: 10.7270/Q2DZ0DBF
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50599441
PNG
(CHEMBL5182912)
Show SMILES COC(=O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C(C)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 530n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113929
BindingDB Entry DOI: 10.7270/Q2DZ0DBF
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50599440
PNG
(CHEMBL5187879)
Show SMILES COC(=O)[C@@H]1Cc2cc(O)c(O)cc2[C@H](Cc2ccc(O)c(O)c2)N1C=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 680n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113929
BindingDB Entry DOI: 10.7270/Q2DZ0DBF
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50291683
PNG
(1-(3,4-Dihydroxy-benzyl)-2-methyl-1,2,3,4-tetrahyd...)
Show SMILES CN1CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C17H19NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,19-22H,4-6H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.88E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113929
BindingDB Entry DOI: 10.7270/Q2DZ0DBF
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.86E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113929
BindingDB Entry DOI: 10.7270/Q2DZ0DBF
More data for this
Ligand-Target Pair