BindingDB logo
myBDB logout

PubMed code 1995876

Compile data set for download or QSAR
Found 9 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
Dihydrofolate reductase


(Escherichia coli)
BDBM18069
PNG
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase at 10e8 M


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50138691
PNG
(5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...)
Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 100n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase at 10e8 M


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Neisseria gonorrhoeae)
BDBM18069
PNG
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 450n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Neisseria gonorrhoeae dihydrofolate reductase at 10e8 M


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Neisseria gonorrhoeae)
BDBM50138691
PNG
(5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...)
Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 530n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Neisseria gonorrhoeae dihydrofolate reductase at 10e8 M


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50406467
PNG
(CHEMBL346871)
Show SMILES COc1cc2CCC(c2cc1OC)c1cnc(N)nc1N
Show InChI InChI=1S/C15H18N4O2/c1-20-12-5-8-3-4-9(10(8)6-13(12)21-2)11-7-18-15(17)19-14(11)16/h5-7,9H,3-4H2,1-2H3,(H4,16,17,18,19)
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase at 10e8 M


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Neisseria gonorrhoeae)
BDBM50406467
PNG
(CHEMBL346871)
Show SMILES COc1cc2CCC(c2cc1OC)c1cnc(N)nc1N
Show InChI InChI=1S/C15H18N4O2/c1-20-12-5-8-3-4-9(10(8)6-13(12)21-2)11-7-18-15(17)19-14(11)16/h5-7,9H,3-4H2,1-2H3,(H4,16,17,18,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9.70E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Neisseria gonorrhoeae dihydrofolate reductase at 10e8 M


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50138691
PNG
(5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...)
Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 7.00E+4n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase at 10e8 M


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM18069
PNG
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
n/an/a 3.70E+5n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase at 10e8 M


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50406467
PNG
(CHEMBL346871)
Show SMILES COc1cc2CCC(c2cc1OC)c1cnc(N)nc1N
Show InChI InChI=1S/C15H18N4O2/c1-20-12-5-8-3-4-9(10(8)6-13(12)21-2)11-7-18-15(17)19-14(11)16/h5-7,9H,3-4H2,1-2H3,(H4,16,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.10E+5n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase at 10e8 M


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