BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 21 hits of ph data with Target = 'NS3'   
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
NS3


(Hepatitis C virus)
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...


ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM123130
PNG
(1-(2-bromo-4-methylphenyl)-1H-pyrrole-2,5-dione (1...)
Show SMILES Cc1ccc(N2C(=O)C=CC2=O)c(Br)c1
Show InChI InChI=1S/C11H8BrNO2/c1-7-2-3-9(8(12)6-7)13-10(14)4-5-11(13)15/h2-6H,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30E+4n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...


ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM61939
PNG
(5,6-bis(fluoranyl)-2-phenyl-1,2-benzothiazol-3-one...)
Show SMILES Fc1cc2sn(-c3ccccc3)c(=O)c2cc1F
Show InChI InChI=1S/C13H7F2NOS/c14-10-6-9-12(7-11(10)15)18-16(13(9)17)8-4-2-1-3-5-8/h1-7H
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...


ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM61947
PNG
(6-bromanyl-2-phenyl-1,2-benzothiazol-3-one | 6-bro...)
Show SMILES Brc1ccc2c(c1)sn(-c1ccccc1)c2=O
Show InChI InChI=1S/C13H8BrNOS/c14-9-6-7-11-12(8-9)17-15(13(11)16)10-4-2-1-3-5-10/h1-8H
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...


ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM61966
PNG
(KSC-09-149B | KUC105615N | N-(2-chlorophenyl)-2-(3...)
Show SMILES Clc1ccccc1NC(=O)Cn1sc2ccccc2c1=O
Show InChI InChI=1S/C15H11ClN2O2S/c16-11-6-2-3-7-12(11)17-14(19)9-18-15(20)10-5-1-4-8-13(10)21-18/h1-8H,9H2,(H,17,19)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...


ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM61969
PNG
(KSC-09-140B | KUC105618N | N-(2-bromophenyl)-2-(3-...)
Show SMILES Brc1ccccc1NC(=O)Cn1sc2ccccc2c1=O
Show InChI InChI=1S/C15H11BrN2O2S/c16-11-6-2-3-7-12(11)17-14(19)9-18-15(20)10-5-1-4-8-13(10)21-18/h1-8H,9H2,(H,17,19)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...


ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM61942
PNG
(2-(3-keto-1,2-benzothiazol-2-yl)-N-(o-tolyl)acetam...)
Show SMILES Cc1ccccc1NC(=O)Cn1sc2ccccc2c1=O
Show InChI InChI=1S/C16H14N2O2S/c1-11-6-2-4-8-13(11)17-15(19)10-18-16(20)12-7-3-5-9-14(12)21-18/h2-9H,10H2,1H3,(H,17,19)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90E+3n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...


ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM61965
PNG
(KSC-09-149A | KUC105614N | N-(2-fluorophenyl)-2-(3...)
Show SMILES Fc1ccccc1NC(=O)Cn1sc2ccccc2c1=O
Show InChI InChI=1S/C15H11FN2O2S/c16-11-6-2-3-7-12(11)17-14(19)9-18-15(20)10-5-1-4-8-13(10)21-18/h1-8H,9H2,(H,17,19)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.60E+3n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...


ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM61942
PNG
(2-(3-keto-1,2-benzothiazol-2-yl)-N-(o-tolyl)acetam...)
Show SMILES Cc1ccccc1NC(=O)Cn1sc2ccccc2c1=O
Show InChI InChI=1S/C16H14N2O2S/c1-11-6-2-4-8-13(11)17-15(19)10-18-16(20)12-7-3-5-9-14(12)21-18/h2-9H,10H2,1H3,(H,17,19)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.60E+3n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...


ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM61964
PNG
(2-(3-keto-1,2-benzothiazol-2-yl)-N-phenyl-propiona...)
Show SMILES CC(C(=O)Nc1ccccc1)n1sc2ccccc2c1=O
Show InChI InChI=1S/C16H14N2O2S/c1-11(15(19)17-12-7-3-2-4-8-12)18-16(20)13-9-5-6-10-14(13)21-18/h2-11H,1H3,(H,17,19)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.30E+3n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...


ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM61970
PNG
(KSC-09-140C | KUC105619N | N-(2-iodanylphenyl)-2-(...)
Show SMILES Ic1ccccc1NC(=O)Cn1sc2ccccc2c1=O
Show InChI InChI=1S/C15H11IN2O2S/c16-11-6-2-3-7-12(11)17-14(19)9-18-15(20)10-5-1-4-8-13(10)21-18/h1-8H,9H2,(H,17,19)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.80E+3n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...


ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM61949
PNG
(KSC-4-295 | KUC105342N | N-(3-bromophenyl)-2-(3-ke...)
Show SMILES Brc1cccc(NC(=O)Cn2sc3ccccc3c2=O)c1
Show InChI InChI=1S/C15H11BrN2O2S/c16-10-4-3-5-11(8-10)17-14(19)9-18-15(20)12-6-1-2-7-13(12)21-18/h1-8H,9H2,(H,17,19)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...


ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM61961
PNG
(2-(3-keto-1,2-benzothiazol-2-yl)-N-[2-(trifluorome...)
Show SMILES FC(F)(F)c1ccccc1NC(=O)Cn1sc2ccccc2c1=O
Show InChI InChI=1S/C16H11F3N2O2S/c17-16(18,19)11-6-2-3-7-12(11)20-14(22)9-21-15(23)10-5-1-4-8-13(10)24-21/h1-8H,9H2,(H,20,22)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+4n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...


ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM61957
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)-N-phenyl-propiona...)
Show SMILES O=C(CCn1sc2ccccc2c1=O)Nc1ccccc1
Show InChI InChI=1S/C16H14N2O2S/c19-15(17-12-6-2-1-3-7-12)10-11-18-16(20)13-8-4-5-9-14(13)21-18/h1-9H,10-11H2,(H,17,19)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+4n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...


ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM50247587
PNG
(2,5-diphenylisothiazol-3(2H)-one | CHEMBL500224 | ...)
Show SMILES O=c1cc(sn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C15H11NOS/c17-15-11-14(12-7-3-1-4-8-12)18-16(15)13-9-5-2-6-10-13/h1-11H
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...


ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM61938
PNG
(1-methyl-2-phenyl-3-indazolone | 1-methyl-2-phenyl...)
Show SMILES Cn1n(-c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C14H12N2O/c1-15-13-10-6-5-9-12(13)14(17)16(15)11-7-3-2-4-8-11/h2-10H,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...


ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM50220832
PNG
(CHEMBL8211 | N-ethylmaleimide)
Show SMILES CCN1C(=O)C=CC1=O
Show InChI InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.30E+5n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...


ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM50376514
PNG
(IODOACETAMIDE)
Show SMILES NC(=O)CI
Show InChI InChI=1S/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+6n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...


ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM123128
PNG
(1‐(4‐bromo‐2‐nitrophenyl)p...)
Show SMILES [O-][N+](=O)c1cc(Br)ccc1N1C(=O)C=CC1=O
Show InChI InChI=1S/C10H5BrN2O4/c11-6-1-2-7(8(5-6)13(16)17)12-9(14)3-4-10(12)15/h1-5H
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+4n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...


ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM123129
PNG
(1-(3-nitro-phenyl)-pyrrole-2,5-dione (17) | CID236...)
Show SMILES [O-][N+](=O)c1cccc(c1)N1C(=O)C=CC1=O
Show InChI InChI=1S/C10H6N2O4/c13-9-4-5-10(14)11(9)7-2-1-3-8(6-7)12(15)16/h1-6H
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+4n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...


ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM46667
PNG
(2-phenyl-1,2-benzothiazol-3-one | 2-phenyl-1,2-ben...)
Show SMILES O=c1n(sc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...


ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair