BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Pantetheinase' and Ligand = 'BDBM480921'   
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
Pantetheinase


(Homo sapiens (Human))		BDBM480921
PNG
(US10906888, Example 135)
Show SMILES O=C(N1CC2(C1)CCOCC2)c1cnc(NCc2cnccn2)nc1
Show InChI InChI=1S/C17H20N6O2/c24-15(23-11-17(12-23)1-5-25-6-2-17)13-7-20-16(21-8-13)22-10-14-9-18-3-4-19-14/h3-4,7-9H,1-2,5-6,10-12H2,(H,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.38n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...

US Patent US10906888 (2021)


BindingDB Entry DOI: 10.7270/Q2QN69WB
More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))		BDBM480921
PNG
(US10906888, Example 135)
Show SMILES O=C(N1CC2(C1)CCOCC2)c1cnc(NCc2cnccn2)nc1
Show InChI InChI=1S/C17H20N6O2/c24-15(23-11-17(12-23)1-5-25-6-2-17)13-7-20-16(21-8-13)22-10-14-9-18-3-4-19-14/h3-4,7-9H,1-2,5-6,10-12H2,(H,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells using Pantetheine-7-amino-4-trifluoromethykournarin as sub...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01849
BindingDB Entry DOI: 10.7270/Q2XD15K6
More data for this
Ligand-Target Pair