BindingDB logo
myBDB logout

null

SMILES: Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(C\C=C\C(O)=O)C(O)=O)cnc2n1

InChI Key: InChIKey=ALEHWQGJHMSGMZ-HNQUOIGGSA-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 1 hit for monomerid = 50023406   
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


(Mus musculus (Mouse))		BDBM50023406
PNG
(5-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-ben...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(C\C=C\C(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C20H20N8O5/c21-16-15-17(28-20(22)27-16)24-9-12(25-15)8-23-11-6-4-10(5-7-11)18(31)26-13(19(32)33)2-1-3-14(29)30/h1,3-7,9,13,23H,2,8H2,(H,26,31)(H,29,30)(H,32,33)(H4,21,22,24,27,28)/b3-1+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.60E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase(DHFR)

J Med Chem 31: 763-8 (1988)


BindingDB Entry DOI: 10.7270/Q24J0FPQ
More data for this
Ligand-Target Pair