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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50405102'   
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


(Gallus gallus (Chicken))
BDBM50405102
PNG
(CHEMBL30475)
Show SMILES Cc1ccccc1SCc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:19,22|
Show InChI InChI=1S/C19H23N5S/c1-13-6-4-5-7-16(13)25-12-14-8-10-15(11-9-14)24-18(21)22-17(20)23-19(24,2)3/h4-11H,12H2,1-3H3,(H4,20,21,22,23)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
43n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR)


J Med Chem 27: 129-43 (1984)


BindingDB Entry DOI: 10.7270/Q2TT4S5M
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50405102
PNG
(CHEMBL30475)
Show SMILES Cc1ccccc1SCc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:19,22|
Show InChI InChI=1S/C19H23N5S/c1-13-6-4-5-7-16(13)25-12-14-8-10-15(11-9-14)24-18(21)22-17(20)23-19(24,2)3/h4-11H,12H2,1-3H3,(H4,20,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)


J Med Chem 27: 144-9 (1984)


BindingDB Entry DOI: 10.7270/Q28K7C96
More data for this
Ligand-Target Pair