BindingDB logo
myBDB logout

PubMed code 1573639

Compile data set for download or QSAR
Found 17 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
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50005795
PNG
(2,8-Diamino-9-thiophen-2-ylmethyl-1,9-dihydro-puri...)
Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1Cc1cccs1
Show InChI InChI=1S/C10H10N6OS/c11-9-14-7-6(8(17)15-9)13-10(12)16(7)4-5-2-1-3-18-5/h1-3H,4H2,(H2,12,13)(H3,11,14,15,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 170n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50005802
PNG
(2,8-Diamino-9-furan-2-ylmethyl-1,9-dihydro-purin-6...)
Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1Cc1ccco1
Show InChI InChI=1S/C10H10N6O2/c11-9-14-7-6(8(17)15-9)13-10(12)16(7)4-5-2-1-3-18-5/h1-3H,4H2,(H2,12,13)(H3,11,14,15,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 250n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50005799
PNG
(2,8-Diamino-9-benzyl-1,9-dihydro-purin-6-one | CHE...)
Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1Cc1ccccc1
Show InChI InChI=1S/C12H12N6O/c13-11-16-9-8(10(19)17-11)15-12(14)18(9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,14,15)(H3,13,16,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 470n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50404028
PNG
(CHEMBL2021376)
Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N6O5/c11-9-14-6-3(7(20)15-9)13-10(12)16(6)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H2,12,13)(H3,11,14,15,20)/t2-,4-,5-,8-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50005793
PNG
(2,8-Diamino-3-thiophen-2-ylmethyl-1,9-dihydro-puri...)
Show SMILES Nc1nc2c(O)nc(N)n(Cc3cccs3)c2n1
Show InChI InChI=1S/C10H10N6OS/c11-9-13-6-7(14-9)16(10(12)15-8(6)17)4-5-2-1-3-18-5/h1-3,17H,4H2,(H2,11,13)(H2,12,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50005798
PNG
(2,8-Diamino-3-benzyl-1,9-dihydro-purin-6-one | CHE...)
Show SMILES Nc1nc2c(O)nc(N)n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C12H12N6O/c13-11-15-8-9(16-11)18(12(14)17-10(8)19)6-7-4-2-1-3-5-7/h1-5,19H,6H2,(H2,13,15)(H2,14,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50005806
PNG
(2,8-Diamino-3-furan-2-ylmethyl-1,9-dihydro-purin-6...)
Show SMILES Nc1nc2c(O)nc(N)n(Cc3ccco3)c2n1
Show InChI InChI=1S/C10H10N6O2/c11-9-13-6-7(14-9)16(10(12)15-8(6)17)4-5-2-1-3-18-5/h1-3,17H,4H2,(H2,11,13)(H2,12,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50005804
PNG
(2,8-Diamino-3-(4-methoxy-benzyl)-1,9-dihydro-purin...)
Show SMILES COc1ccc(Cn2c(N)nc(O)c3nc(N)nc23)cc1
Show InChI InChI=1S/C13H14N6O2/c1-21-8-4-2-7(3-5-8)6-19-10-9(16-12(14)17-10)11(20)18-13(19)15/h2-5,20H,6H2,1H3,(H2,14,16)(H2,15,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50005800
PNG
(2-Amino-3-benzyl-1,9-dihydro-purin-6-one | CHEMBL3...)
Show SMILES Nc1nc(O)c2ncnc2n1Cc1ccccc1
Show InChI InChI=1S/C12H11N5O/c13-12-16-11(18)9-10(15-7-14-9)17(12)6-8-4-2-1-3-5-8/h1-5,7,18H,6H2,(H2,13,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.14E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50005801
PNG
(3-Benzyl-2-hydroxy-1,9-dihydro-purin-6-one | CHEMB...)
Show SMILES O=c1[nH]c(=O)c2[nH]cnc2n1Cc1ccccc1
Show InChI InChI=1S/C12H10N4O2/c17-11-9-10(14-7-13-9)16(12(18)15-11)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)(H,15,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.34E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50005796
PNG
(2-Amino-9-benzyl-1,9-dihydro-purin-6-one | CHEMBL3...)
Show SMILES Nc1nc2n(Cc3ccccc3)cnc2c(=O)[nH]1
Show InChI InChI=1S/C12H11N5O/c13-12-15-10-9(11(18)16-12)14-7-17(10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,15,16,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.96E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50005803
PNG
(8-Amino-3-benzyl-1,9-dihydro-purin-6-one | CHEMBL3...)
Show SMILES Nc1nc2c(O)ncn(Cc3ccccc3)c2n1
Show InChI InChI=1S/C12H11N5O/c13-12-15-9-10(16-12)17(7-14-11(9)18)6-8-4-2-1-3-5-8/h1-5,7,18H,6H2,(H2,13,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.26E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50005805
PNG
(8-Amino-3-benzyl-2-methylsulfanyl-1,9-dihydro-puri...)
Show SMILES CSc1nc(O)c2nc(N)nc2n1Cc1ccccc1
Show InChI InChI=1S/C13H13N5OS/c1-20-13-17-11(19)9-10(16-12(14)15-9)18(13)7-8-5-3-2-4-6-8/h2-6,19H,7H2,1H3,(H2,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>7.50E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50005797
PNG
(6-Amino-3-benzyl-9H-purin-3-ium; chloride | CHEMBL...)
Show SMILES Nc1[nH+]cn(Cc2ccccc2)c2ncnc12
Show InChI InChI=1S/C12H11N5/c13-11-10-12(15-7-14-10)17(8-16-11)6-9-4-2-1-3-5-9/h1-5,7-8H,6,13H2/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9.50E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50005794
PNG
(3-Benzyl-1,9-dihydro-purin-6-one | 3-Benzyl-3,7-di...)
Show SMILES Oc1ncn(Cc2ccccc2)c2ncnc12
Show InChI InChI=1S/C12H10N4O/c17-12-10-11(14-7-13-10)16(8-15-12)6-9-4-2-1-3-5-9/h1-5,7-8,17H,6H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.12E+5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50005791
PNG
(8-Amino-3-benzyl-1,9-dihydro-purine-6-thione | CHE...)
Show SMILES Nc1nc2c(S)ncn(Cc3ccccc3)c2n1
Show InChI InChI=1S/C12H11N5S/c13-12-15-9-10(16-12)17(7-14-11(9)18)6-8-4-2-1-3-5-8/h1-5,7,18H,6H2,(H2,13,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.31E+5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50005807
PNG
(CHEMBL35798 | N-(2-Amino-3-benzyl-6-oxo-6,9-dihydr...)
Show SMILES Nc1nc(O)c2nc(NC=O)nc2n1Cc1ccccc1
Show InChI InChI=1S/C13H12N6O2/c14-12-18-11(21)9-10(17-13(16-9)15-7-20)19(12)6-8-4-2-1-3-5-8/h1-5,7,21H,6H2,(H2,14,18)(H,15,16,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%