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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine hydroxymethyltransferase, mitochondrial' and Ligand = 'BDBM285661'   
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
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285661
PNG
(US10077273, Compound 69 | US10584132, Compound 69 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(=O)N[C@@H](CCC(O)=O)C(O)=O |r,c:13|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



The Trustees of Princeton University

US Patent


Assay Description
Inhibition of human SHMT by compounds in this disclosure is evaluated, for example, in their racemic forms in an in vitro assay. For example, Compoun...


US Patent US10584132 (2020)


BindingDB Entry DOI: 10.7270/Q2K939XZ
More data for this
Ligand-Target Pair
Serine hydroxymethyltransferase, mitochondrial


(Homo sapiens (Human))
BDBM285661
PNG
(US10077273, Compound 69 | US10584132, Compound 69 ...)
Show SMILES CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCC(=O)N[C@@H](CCC(O)=O)C(O)=O |r,c:13|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/a7.4n/a



The Trustees of Princeton University

US Patent


Assay Description
For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluate...


US Patent US10077273 (2018)


BindingDB Entry DOI: 10.7270/Q2DR2XHK
More data for this
Ligand-Target Pair