new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 122 hits with Last Name = 'orr' and Initial = 'gf'   
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
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1803
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3w | 2-amino...)
Show SMILES Cc1cc(Br)cc(c1)S(=O)(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C14H11BrN2O2S/c1-9-5-10(15)7-11(6-9)20(18,19)14-4-2-3-13(17)12(14)8-16/h2-7H,17H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1804
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3x | 2-amino...)
Show SMILES Cc1cc(Cl)cc(c1)S(=O)(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C14H11ClN2O2S/c1-9-5-10(15)7-11(6-9)20(18,19)14-4-2-3-13(17)12(14)8-16/h2-7H,17H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1802
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3v, 739W94 |...)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C15H14N2O2S/c1-10-6-11(2)8-12(7-10)20(18,19)15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
n/an/a 7n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1805
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3y | 2-amino...)
Show SMILES COc1cc(C)cc(c1)S(=O)(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C15H14N2O3S/c1-10-6-11(20-2)8-12(7-10)21(18,19)15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Mus musculus)
BDBM50030972
PNG
(5-(3-sec-Butoxy-benzyl)-1-(2-hydroxy-ethoxymethyl)...)
Show SMILES CCC(C)Oc1cccc(Cc2cn(COCCO)c(=O)[nH]c2=O)c1
Show InChI InChI=1S/C18H24N2O5/c1-3-13(2)25-16-6-4-5-14(10-16)9-15-11-20(12-24-8-7-21)18(23)19-17(15)22/h4-6,10-11,13,21H,3,7-9,12H2,1-2H3,(H,19,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 27n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of uridine phosphorylase (UrdPase) from murine liver.


J Med Chem 38: 3850-6 (1995)


BindingDB Entry DOI: 10.7270/Q2B27T91
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1778
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3ff | 2-amin...)
Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H12N2O2S/c18-11-15-16(19)6-3-7-17(15)22(20,21)14-9-8-12-4-1-2-5-13(12)10-14/h1-10H,19H2
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 30n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1801
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3u | 2-amino...)
Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C13H8Cl2N2O2S/c14-8-4-9(15)6-10(5-8)20(18,19)13-3-1-2-12(17)11(13)7-16/h1-6H,17H2
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 30n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1806
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3z | 2-amino...)
Show SMILES COc1cc(cc(c1)S(=O)(=O)c1cccc(N)c1C#N)C(F)(F)F
Show InChI InChI=1S/C15H11F3N2O3S/c1-23-10-5-9(15(16,17)18)6-11(7-10)24(21,22)14-4-2-3-13(20)12(14)8-19/h2-7H,20H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Mus musculus)
BDBM50031005
PNG
(1-(2-Hydroxy-ethoxymethyl)-5-(3-propoxy-benzyl)-1H...)
Show SMILES CCCOc1cccc(Cc2cn(COCCO)c(=O)[nH]c2=O)c1
Show InChI InChI=1S/C17H22N2O5/c1-2-7-24-15-5-3-4-13(10-15)9-14-11-19(12-23-8-6-20)17(22)18-16(14)21/h3-5,10-11,20H,2,6-9,12H2,1H3,(H,18,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 47n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of uridine phosphorylase (UrdPase) from murine liver.


J Med Chem 38: 3850-6 (1995)


BindingDB Entry DOI: 10.7270/Q2B27T91
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Mus musculus)
BDBM50030974
PNG
(1-(2-Hydroxy-1-hydroxymethyl-ethoxymethyl)-5-(3-pr...)
Show SMILES CCCOc1cccc(Cc2cn(COC(CO)CO)c(=O)[nH]c2=O)c1
Show InChI InChI=1S/C18H24N2O6/c1-2-6-25-15-5-3-4-13(8-15)7-14-9-20(18(24)19-17(14)23)12-26-16(10-21)11-22/h3-5,8-9,16,21-22H,2,6-7,10-12H2,1H3,(H,19,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 60n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of uridine phosphorylase (UrdPase) from murine liver.


J Med Chem 38: 3850-6 (1995)


BindingDB Entry DOI: 10.7270/Q2B27T91
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Mus musculus)
BDBM50031009
PNG
(1-(2-Hydroxy-ethoxymethyl)-5-(3-isobutoxy-benzyl)-...)
Show SMILES CC(C)COc1cccc(Cc2cn(COCCO)c(=O)[nH]c2=O)c1
Show InChI InChI=1S/C18H24N2O5/c1-13(2)11-25-16-5-3-4-14(9-16)8-15-10-20(12-24-7-6-21)18(23)19-17(15)22/h3-5,9-10,13,21H,6-8,11-12H2,1-2H3,(H,19,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 66n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of uridine phosphorylase (UrdPase) from murine liver.


J Med Chem 38: 3850-6 (1995)


BindingDB Entry DOI: 10.7270/Q2B27T91
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Mus musculus)
BDBM50030990
PNG
(5-[3-(3-Fluoro-propoxy)-benzyl]-1-(2-hydroxy-ethox...)
Show SMILES OCCOCn1cc(Cc2cccc(OCCCF)c2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H21FN2O5/c18-5-2-7-25-15-4-1-3-13(10-15)9-14-11-20(12-24-8-6-21)17(23)19-16(14)22/h1,3-4,10-11,21H,2,5-9,12H2,(H,19,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 68n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of uridine phosphorylase (UrdPase) from murine liver.


J Med Chem 38: 3850-6 (1995)


BindingDB Entry DOI: 10.7270/Q2B27T91
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Mus musculus)
BDBM50030980
PNG
(1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL...)
Show SMILES OCCOCn1cc(Cc2cccc(OCc3ccccc3)c2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H22N2O5/c24-9-10-27-15-23-13-18(20(25)22-21(23)26)11-17-7-4-8-19(12-17)28-14-16-5-2-1-3-6-16/h1-8,12-13,24H,9-11,14-15H2,(H,22,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 84n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of uridine phosphorylase (UrdPase) from murine liver.


J Med Chem 38: 3850-6 (1995)


BindingDB Entry DOI: 10.7270/Q2B27T91
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Mus musculus)
BDBM50031006
PNG
(5-(3-Ethoxy-benzyl)-1-(2-hydroxy-ethoxymethyl)-1H-...)
Show SMILES CCOc1cccc(Cc2cn(COCCO)c(=O)[nH]c2=O)c1
Show InChI InChI=1S/C16H20N2O5/c1-2-23-14-5-3-4-12(9-14)8-13-10-18(11-22-7-6-19)16(21)17-15(13)20/h3-5,9-10,19H,2,6-8,11H2,1H3,(H,17,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 100n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of uridine phosphorylase (UrdPase) from murine liver.


J Med Chem 38: 3850-6 (1995)


BindingDB Entry DOI: 10.7270/Q2B27T91
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Mus musculus)
BDBM50031007
PNG
(5-[3-(3-Fluoro-propoxy)-benzyl]-1-(2-hydroxy-1-hyd...)
Show SMILES OCC(CO)OCn1cc(Cc2cccc(OCCCF)c2)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H23FN2O6/c19-5-2-6-26-15-4-1-3-13(8-15)7-14-9-21(18(25)20-17(14)24)12-27-16(10-22)11-23/h1,3-4,8-9,16,22-23H,2,5-7,10-12H2,(H,20,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 110n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of uridine phosphorylase (UrdPase) from murine liver.


J Med Chem 38: 3850-6 (1995)


BindingDB Entry DOI: 10.7270/Q2B27T91
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Mus musculus)
BDBM50030999
PNG
(5-(3-Chloro-benzyl)-1-(2-hydroxy-1-hydroxymethyl-e...)
Show SMILES OCC(CO)OCn1cc(Cc2cccc(Cl)c2)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H17ClN2O5/c16-12-3-1-2-10(5-12)4-11-6-18(15(22)17-14(11)21)9-23-13(7-19)8-20/h1-3,5-6,13,19-20H,4,7-9H2,(H,17,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 110n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of uridine phosphorylase (UrdPase) from murine liver.


J Med Chem 38: 3850-6 (1995)


BindingDB Entry DOI: 10.7270/Q2B27T91
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1751
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 1u | 2-amino...)
Show SMILES Nc1cccc(Sc2cc(Cl)cc(Cl)c2)c1C#N
Show InChI InChI=1S/C13H8Cl2N2S/c14-8-4-9(15)6-10(5-8)18-13-3-1-2-12(17)11(13)7-16/h1-6H,17H2
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 120n/an/an/an/a8.0n/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Mus musculus)
BDBM50030983
PNG
(5-(3-Allyloxy-benzyl)-1-(2-hydroxy-ethoxymethyl)-1...)
Show SMILES OCCOCn1cc(Cc2cccc(OCC=C)c2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H20N2O5/c1-2-7-24-15-5-3-4-13(10-15)9-14-11-19(12-23-8-6-20)17(22)18-16(14)21/h2-5,10-11,20H,1,6-9,12H2,(H,18,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 130n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of uridine phosphorylase (UrdPase) from murine liver.


J Med Chem 38: 3850-6 (1995)


BindingDB Entry DOI: 10.7270/Q2B27T91
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1753
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 1w | 2-amino...)
Show SMILES COc1cc(C)cc(Sc2cccc(N)c2C#N)c1
Show InChI InChI=1S/C15H14N2OS/c1-10-6-11(18-2)8-12(7-10)19-15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 140n/an/an/an/a8.0n/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Mus musculus)
BDBM50030995
PNG
(5-(3-Butoxy-benzyl)-1-(2-hydroxy-ethoxymethyl)-1H-...)
Show SMILES CCCCOc1cccc(Cc2cn(COCCO)c(=O)[nH]c2=O)c1
Show InChI InChI=1S/C18H24N2O5/c1-2-3-8-25-16-6-4-5-14(11-16)10-15-12-20(13-24-9-7-21)18(23)19-17(15)22/h4-6,11-12,21H,2-3,7-10,13H2,1H3,(H,19,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 160n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of uridine phosphorylase (UrdPase) from murine liver.


J Med Chem 38: 3850-6 (1995)


BindingDB Entry DOI: 10.7270/Q2B27T91
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Mus musculus)
BDBM50031004
PNG
(1-(2-Hydroxy-ethoxymethyl)-5-(3-isopropoxy-benzyl)...)
Show SMILES CC(C)Oc1cccc(Cc2cn(COCCO)c(=O)[nH]c2=O)c1
Show InChI InChI=1S/C17H22N2O5/c1-12(2)24-15-5-3-4-13(9-15)8-14-10-19(11-23-7-6-20)17(22)18-16(14)21/h3-5,9-10,12,20H,6-8,11H2,1-2H3,(H,18,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 160n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of uridine phosphorylase (UrdPase) from murine liver.


J Med Chem 38: 3850-6 (1995)


BindingDB Entry DOI: 10.7270/Q2B27T91
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1792
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3l | 2-amino...)
Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1cccc(Br)c1
Show InChI InChI=1S/C13H9BrN2O2S/c14-9-3-1-4-10(7-9)19(17,18)13-6-2-5-12(16)11(13)8-15/h1-7H,16H2
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50122955
PNG
(2-(4,6-Difluoro-indan-1-ylidene)-acetamide | CHEMB...)
Show SMILES NC(=O)\C=C1/CCc2c1cc(F)cc2F
Show InChI InChI=1S/C11H9F2NO/c12-7-4-9-6(3-11(14)15)1-2-8(9)10(13)5-7/h3-5H,1-2H2,(H2,14,15)/b6-3+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Monoamine oxidase B (MAO-B)


J Med Chem 46: 399-408 (2003)


Article DOI: 10.1021/jm020067s
BindingDB Entry DOI: 10.7270/Q2VH5N7F
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1786
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3f | 2-amino...)
Show SMILES Cc1cccc(c1)S(=O)(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C14H12N2O2S/c1-10-4-2-5-11(8-10)19(17,18)14-7-3-6-13(16)12(14)9-15/h2-8H,16H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1800
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3t | 2-amino...)
Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C13H8Cl2N2O2S/c14-8-4-5-10(15)13(6-8)20(18,19)12-3-1-2-11(17)9(12)7-16/h1-6H,17H2
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 300n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Mus musculus)
BDBM50030984
PNG
(5-(3-Chloro-benzyl)-1-(2-hydroxy-ethoxymethyl)-1H-...)
Show SMILES OCCOCn1cc(Cc2cccc(Cl)c2)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H15ClN2O4/c15-12-3-1-2-10(7-12)6-11-8-17(9-21-5-4-18)14(20)16-13(11)19/h1-3,7-8,18H,4-6,9H2,(H,16,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of uridine phosphorylase (UrdPase) from murine liver.


J Med Chem 38: 3850-6 (1995)


BindingDB Entry DOI: 10.7270/Q2B27T91
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Mus musculus)
BDBM50030981
PNG
(5-(3,5-Difluoro-benzyl)-1-(2-hydroxy-ethoxymethyl)...)
Show SMILES OCCOCn1cc(Cc2cc(F)cc(F)c2)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H14F2N2O4/c15-11-4-9(5-12(16)6-11)3-10-7-18(8-22-2-1-19)14(21)17-13(10)20/h4-7,19H,1-3,8H2,(H,17,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 350n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of uridine phosphorylase (UrdPase) from murine liver.


J Med Chem 38: 3850-6 (1995)


BindingDB Entry DOI: 10.7270/Q2B27T91
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1789
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3i | 2-amino...)
Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H9ClN2O2S/c14-9-3-1-4-10(7-9)19(17,18)13-6-2-5-12(16)11(13)8-15/h1-7H,16H2
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 400n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1776
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3dd | 2-amin...)
Show SMILES CCCCOc1cc(C)cc(c1)S(=O)(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C18H20N2O3S/c1-3-4-8-23-14-9-13(2)10-15(11-14)24(21,22)18-7-5-6-17(20)16(18)12-19/h5-7,9-11H,3-4,8,20H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 400n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Mus musculus)
BDBM50026387
PNG
(1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4...)
Show SMILES OCCOCn1cc(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
n/an/a 460n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of uridine phosphorylase (UrdPase) from murine liver.


J Med Chem 38: 3850-6 (1995)


BindingDB Entry DOI: 10.7270/Q2B27T91
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1769
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 2n | 2-amino...)
Show SMILES Cc1cc(C)cc(c1)S(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C15H14N2OS/c1-10-6-11(2)8-12(7-10)19(18)15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 500n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1771
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 2p | 2-amino...)
Show SMILES Cc1cc(Cl)cc(c1)S(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C14H11ClN2OS/c1-9-5-10(15)7-11(6-9)19(18)14-4-2-3-13(17)12(14)8-16/h2-7H,17H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 520n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Mus musculus)
BDBM50030976
PNG
(5-(3-Fluoro-benzyl)-1-(2-hydroxy-ethoxymethyl)-1H-...)
Show SMILES OCCOCn1cc(Cc2cccc(F)c2)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H15FN2O4/c15-12-3-1-2-10(7-12)6-11-8-17(9-21-5-4-18)14(20)16-13(11)19/h1-3,7-8,18H,4-6,9H2,(H,16,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 550n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of uridine phosphorylase (UrdPase) from murine liver.


J Med Chem 38: 3850-6 (1995)


BindingDB Entry DOI: 10.7270/Q2B27T91
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1783
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3c | 2-amino...)
Show SMILES COc1cccc(c1)S(=O)(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C14H12N2O3S/c1-19-10-4-2-5-11(8-10)20(17,18)14-7-3-6-13(16)12(14)9-15/h2-8H,16H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 600n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Mus musculus)
BDBM50031001
PNG
(5-(3-Propoxy-benzyl)-1H-pyrimidine-2,4-dione | CHE...)
Show SMILES CCCOc1cccc(Cc2c[nH]c(=O)[nH]c2=O)c1
Show InChI InChI=1S/C14H16N2O3/c1-2-6-19-12-5-3-4-10(8-12)7-11-9-15-14(18)16-13(11)17/h3-5,8-9H,2,6-7H2,1H3,(H2,15,16,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 840n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of uridine phosphorylase (UrdPase) from murine liver.


J Med Chem 38: 3850-6 (1995)


BindingDB Entry DOI: 10.7270/Q2B27T91
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Mus musculus)
BDBM50030975
PNG
(5-(2-Fluoro-benzyl)-1-(2-hydroxy-ethoxymethyl)-1H-...)
Show SMILES OCCOCn1cc(Cc2ccccc2F)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H15FN2O4/c15-12-4-2-1-3-10(12)7-11-8-17(9-21-6-5-18)14(20)16-13(11)19/h1-4,8,18H,5-7,9H2,(H,16,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 870n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of uridine phosphorylase (UrdPase) from murine liver.


J Med Chem 38: 3850-6 (1995)


BindingDB Entry DOI: 10.7270/Q2B27T91
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1772
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 2q | 2-amino...)
Show SMILES COc1cc(cc(c1)C(F)(F)F)S(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C15H11F3N2O2S/c1-22-10-5-9(15(16,17)18)6-11(7-10)23(21)14-4-2-3-13(20)12(14)8-19/h2-7H,20H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 900n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1736
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 1f | 2-amino...)
Show SMILES Cc1cccc(Sc2cccc(N)c2C#N)c1
Show InChI InChI=1S/C14H12N2S/c1-10-4-2-5-11(8-10)17-14-7-3-6-13(16)12(14)9-15/h2-8H,16H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 960n/an/an/an/a8.0n/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1777
PNG
(2-(4a,8a-dihydronaphthalene-1-sulfonyl)-6-aminoben...)
Show SMILES Nc1cccc(c1C#N)S(=O)(=O)C1=CC=CC2C=CC=CC12 |c:15,18,20,t:13|
Show InChI InChI=1S/C17H14N2O2S/c18-11-14-15(19)8-4-10-17(14)22(20,21)16-9-3-6-12-5-1-2-7-13(12)16/h1-10,12-13H,19H2
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1750
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 1t | 2-amino...)
Show SMILES Cc1cc(C)cc(Sc2cccc(N)c2C#N)c1
Show InChI InChI=1S/C15H14N2S/c1-10-6-11(2)8-12(7-10)18-15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.10E+3n/an/an/an/a8.0n/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Mus musculus)
BDBM50031000
PNG
(5-(3-sec-Butoxy-benzyl)-1H-pyrimidine-2,4-dione | ...)
Show SMILES CCC(C)Oc1cccc(Cc2c[nH]c(=O)[nH]c2=O)c1
Show InChI InChI=1S/C15H18N2O3/c1-3-10(2)20-13-6-4-5-11(8-13)7-12-9-16-15(19)17-14(12)18/h4-6,8-10H,3,7H2,1-2H3,(H2,16,17,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of uridine phosphorylase (UrdPase) from murine liver.


J Med Chem 38: 3850-6 (1995)


BindingDB Entry DOI: 10.7270/Q2B27T91
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1745
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 1o | 2-amino...)
Show SMILES Nc1cccc(Sc2cccc(c2)C#N)c1C#N
Show InChI InChI=1S/C14H9N3S/c15-8-10-3-1-4-11(7-10)18-14-6-2-5-13(17)12(14)9-16/h1-7H,17H2
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.10E+3n/an/an/an/a8.0n/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Mus musculus)
BDBM50031002
PNG
(5-(3-Isobutoxy-benzyl)-1H-pyrimidine-2,4-dione | C...)
Show SMILES CC(C)COc1cccc(Cc2c[nH]c(=O)[nH]c2=O)c1
Show InChI InChI=1S/C15H18N2O3/c1-10(2)9-20-13-5-3-4-11(7-13)6-12-8-16-15(19)17-14(12)18/h3-5,7-8,10H,6,9H2,1-2H3,(H2,16,17,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of uridine phosphorylase (UrdPase) from murine liver.


J Med Chem 38: 3850-6 (1995)


BindingDB Entry DOI: 10.7270/Q2B27T91
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1782
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3b | 2-amino...)
Show SMILES COc1ccccc1S(=O)(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C14H12N2O3S/c1-19-12-6-2-3-7-14(12)20(17,18)13-8-4-5-11(16)10(13)9-15/h2-8H,16H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Mus musculus)
BDBM50031012
PNG
(5-[3-(3-Fluoro-propoxy)-benzyl]-1H-pyrimidine-2,4-...)
Show SMILES FCCCOc1cccc(Cc2c[nH]c(=O)[nH]c2=O)c1
Show InChI InChI=1S/C14H15FN2O3/c15-5-2-6-20-12-4-1-3-10(8-12)7-11-9-16-14(19)17-13(11)18/h1,3-4,8-9H,2,5-7H2,(H2,16,17,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of uridine phosphorylase (UrdPase) from murine liver.


J Med Chem 38: 3850-6 (1995)


BindingDB Entry DOI: 10.7270/Q2B27T91
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1733
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 1c | 2-amino...)
Show SMILES COc1cccc(Sc2cccc(N)c2C#N)c1
Show InChI InChI=1S/C14H12N2OS/c1-17-10-4-2-5-11(8-10)18-14-7-3-6-13(16)12(14)9-15/h2-8H,16H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.50E+3n/an/an/an/a8.0n/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1752
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 1v | 2-amino...)
Show SMILES Cc1cc(Cl)cc(Sc2cccc(N)c2C#N)c1
Show InChI InChI=1S/C14H11ClN2S/c1-9-5-10(15)7-11(6-9)18-14-4-2-3-13(17)12(14)8-16/h2-7H,17H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.70E+3n/an/an/an/a8.0n/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1797
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3q | 2-amino...)
Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C14H9N3O2S/c15-8-10-3-1-4-11(7-10)20(18,19)14-6-2-5-13(17)12(14)9-16/h1-7H,17H2
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Uridine phosphorylase 1


(Mus musculus)
BDBM50031010
PNG
(1-(2-Hydroxy-ethoxymethyl)-5-(3-methoxy-benzyl)-1H...)
Show SMILES COc1cccc(Cc2cn(COCCO)c(=O)[nH]c2=O)c1
Show InChI InChI=1S/C15H18N2O5/c1-21-13-4-2-3-11(8-13)7-12-9-17(10-22-6-5-18)15(20)16-14(12)19/h2-4,8-9,18H,5-7,10H2,1H3,(H,16,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.86E+3n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of uridine phosphorylase (UrdPase) from murine liver Value refers to activity for apparent Ki value


J Med Chem 38: 3850-6 (1995)


BindingDB Entry DOI: 10.7270/Q2B27T91
More data for this
Ligand-Target Pair
Uridine phosphorylase 1


(Mus musculus)
BDBM50030992
PNG
(5-(3-Isopropoxy-benzyl)-1H-pyrimidine-2,4-dione | ...)
Show SMILES CC(C)Oc1cccc(Cc2c[nH]c(=O)[nH]c2=O)c1
Show InChI InChI=1S/C14H16N2O3/c1-9(2)19-12-5-3-4-10(7-12)6-11-8-15-14(18)16-13(11)17/h3-5,7-9H,6H2,1-2H3,(H2,15,16,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of uridine phosphorylase (UrdPase) from murine liver.


J Med Chem 38: 3850-6 (1995)


BindingDB Entry DOI: 10.7270/Q2B27T91
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 122 total )  |  Next  |  Last  >>
Jump to: