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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Folate receptor alpha' and Ligand = 'BDBM50059333'   
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
Folate receptor alpha


(Homo sapiens (Human))
BDBM50059333
PNG
((R)-2-({5-[2-(2-Amino-4-oxo-4,6,7,8-tetrahydro-3H-...)
Show SMILES Nc1nc2NCC(CCc3ccc(s3)C(=O)N[C@H](CCC(O)=O)C(O)=O)Sc2c(=O)[nH]1
Show InChI InChI=1S/C18H21N5O6S2/c19-18-22-14-13(16(27)23-18)31-9(7-20-14)2-1-8-3-5-11(30-8)15(26)21-10(17(28)29)4-6-12(24)25/h3,5,9-10H,1-2,4,6-7H2,(H,21,26)(H,24,25)(H,28,29)(H4,19,20,22,23,27)/t9?,10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 0.000500n/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
compound was tested for the ability to function as transport substrates for the human folate-binding protein(mFBP)


J Med Chem 40: 2502-24 (1997)


Article DOI: 10.1021/jm9607459
BindingDB Entry DOI: 10.7270/Q29C6WJD
More data for this
Ligand-Target Pair