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SMILES: Cc1sc2nc(N)nc(N)c2c1Cc1ccccc1

InChI Key: InChIKey=UBEKRQCLVPLZMA-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50041937   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50041937
PNG
(5-Benzyl-6-methyl-thieno[2,3-d]pyrimidine-2,4-diam...)
Show SMILES Cc1sc2nc(N)nc(N)c2c1Cc1ccccc1
Show InChI InChI=1S/C14H14N4S/c1-8-10(7-9-5-3-2-4-6-9)11-12(15)17-14(16)18-13(11)19-8/h2-6H,7H2,1H3,(H4,15,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against dihydrofolate reductase in L. casei


J Med Chem 36: 3103-12 (1993)


BindingDB Entry DOI: 10.7270/Q23X85PX
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50041937
PNG
(5-Benzyl-6-methyl-thieno[2,3-d]pyrimidine-2,4-diam...)
Show SMILES Cc1sc2nc(N)nc(N)c2c1Cc1ccccc1
Show InChI InChI=1S/C14H14N4S/c1-8-10(7-9-5-3-2-4-6-9)11-12(15)17-14(16)18-13(11)19-8/h2-6H,7H2,1H3,(H4,15,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase in pneumocystis carinii.


J Med Chem 36: 3103-12 (1993)


BindingDB Entry DOI: 10.7270/Q23X85PX
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50041937
PNG
(5-Benzyl-6-methyl-thieno[2,3-d]pyrimidine-2,4-diam...)
Show SMILES Cc1sc2nc(N)nc(N)c2c1Cc1ccccc1
Show InChI InChI=1S/C14H14N4S/c1-8-10(7-9-5-3-2-4-6-9)11-12(15)17-14(16)18-13(11)19-8/h2-6H,7H2,1H3,(H4,15,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against dihydrofolate reductase in Beef liver


J Med Chem 36: 3103-12 (1993)


BindingDB Entry DOI: 10.7270/Q23X85PX
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50041937
PNG
(5-Benzyl-6-methyl-thieno[2,3-d]pyrimidine-2,4-diam...)
Show SMILES Cc1sc2nc(N)nc(N)c2c1Cc1ccccc1
Show InChI InChI=1S/C14H14N4S/c1-8-10(7-9-5-3-2-4-6-9)11-12(15)17-14(16)18-13(11)19-8/h2-6H,7H2,1H3,(H4,15,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against dihydrofolate reductase in Beef liver


J Med Chem 36: 3103-12 (1993)


BindingDB Entry DOI: 10.7270/Q23X85PX
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50041937
PNG
(5-Benzyl-6-methyl-thieno[2,3-d]pyrimidine-2,4-diam...)
Show SMILES Cc1sc2nc(N)nc(N)c2c1Cc1ccccc1
Show InChI InChI=1S/C14H14N4S/c1-8-10(7-9-5-3-2-4-6-9)11-12(15)17-14(16)18-13(11)19-8/h2-6H,7H2,1H3,(H4,15,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>3.70E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of rat liver dihydrofolate reductase.


J Med Chem 36: 3103-12 (1993)


BindingDB Entry DOI: 10.7270/Q23X85PX
More data for this
Ligand-Target Pair