BindingDB logo
myBDB logout

PubMed code 14611859

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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
Genome polyprotein


(Hepatitis C virus)		BDBM50135740
PNG
(2,3,4,5,6,7,14,15-octahydroxy-13-(5-hydroxy-4-oxo-...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)OC[C@H]2O[C@H]1Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C35H28O17/c36-16-6-13(7-21-25(16)17(37)10-20(50-21)12-4-2-1-3-5-12)49-35-31(45)30(44)32-22(51-35)11-48-33(46)14-8-18(38)26(40)28(42)23(14)24-15(34(47)52-32)9-19(39)27(41)29(24)43/h1-9,20,22,30-32,35-36,38-45H,10-11H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 300n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound evaluated in the HCV NS3 protease activity assay

Bioorg Med Chem Lett 13: 2925-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HX1C2D
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50135739
PNG
(13-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-2,...)
Show SMILES [H][C@@]12COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@]1([H])[C@H](O)[C@@H](O)[C@H](Oc1cc(O)c(C(=O)CCc3ccccc3)c(O)c1)O2 |r|
Show InChI InChI=1S/C35H30O17/c36-17(7-6-13-4-2-1-3-5-13)25-18(37)8-14(9-19(25)38)50-35-31(46)30(45)32-22(51-35)12-49-33(47)15-10-20(39)26(41)28(43)23(15)24-16(34(48)52-32)11-21(40)27(42)29(24)44/h1-5,8-11,22,30-32,35,37-46H,6-7,12H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 800n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound evaluated in the HCV NS3 protease assay

Bioorg Med Chem Lett 13: 2925-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HX1C2D
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50135740
PNG
(2,3,4,5,6,7,14,15-octahydroxy-13-(5-hydroxy-4-oxo-...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)OC[C@H]2O[C@H]1Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C35H28O17/c36-16-6-13(7-21-25(16)17(37)10-20(50-21)12-4-2-1-3-5-12)49-35-31(45)30(44)32-22(51-35)11-48-33(46)14-8-18(38)26(40)28(42)23(14)24-15(34(47)52-32)9-19(39)27(41)29(24)43/h1-9,20,22,30-32,35-36,38-45H,10-11H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound evaluated in the HCV protease binding assay

Bioorg Med Chem Lett 13: 2925-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HX1C2D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%