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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 = 'BDBM50059341'   
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))
BDBM50059341
PNG
((S)-2-({5-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimi...)
Show SMILES Cc1cc(sc1CCCSc1c(N)nc(N)[nH]c1=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C18H23N5O6S2/c1-8-7-11(15(26)21-9(17(28)29)4-5-12(24)25)31-10(8)3-2-6-30-13-14(19)22-18(20)23-16(13)27/h7,9H,2-6H2,1H3,(H,21,26)(H,24,25)(H,28,29)(H5,19,20,22,23,27)/t9-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 136n/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