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BDBM50059338 (S)-2-{[6-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-5-ylsulfanylmethyl)-4,5,6,7-tetrahydro-benzo[b]thiophene-2-carbonyl]-amino}-pentanedioic acid::CHEMBL309415

SMILES: Nc1nc(N)c(SCC2CCc3cc(sc3C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1

InChI Key: InChIKey=ZGMCQEIDLHETAQ-HTLJXXAVSA-N

Data: 1 KI  1 Kd

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 2 hits for monomerid = 50059338   
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
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50059338
PNG
((S)-2-{[6-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin...)
Show SMILES Nc1nc(N)c(SCC2CCc3cc(sc3C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C19H23N5O6S2/c20-15-14(17(28)24-19(21)23-15)31-7-8-1-2-9-6-12(32-11(9)5-8)16(27)22-10(18(29)30)3-4-13(25)26/h6,8,10H,1-5,7H2,(H,22,27)(H,25,26)(H,29,30)(H5,20,21,23,24,28)/t8?,10-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Glycinamide Ribonucleotide Transformylase (GART) using N10-formyl-5,8-dideazafolate (FDDF) as the cofactor .


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
Folate receptor alpha


(Homo sapiens (Human))
BDBM50059338
PNG
((S)-2-{[6-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin...)
Show SMILES Nc1nc(N)c(SCC2CCc3cc(sc3C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C19H23N5O6S2/c20-15-14(17(28)24-19(21)23-15)31-7-8-1-2-9-6-12(32-11(9)5-8)16(27)22-10(18(29)30)3-4-13(25)26/h6,8,10H,1-5,7H2,(H,22,27)(H,25,26)(H,29,30)(H5,20,21,23,24,28)/t8?,10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.570n/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