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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'V-type proton ATPase subunit c'' and Ligand = 'BDBM63397'   
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
V-type proton ATPase subunit c'


(Saccharomyces cerevisiae S288c)
BDBM63397
PNG
(MLS000723546 | SMR000305141 | cid_5833488 | ethyl ...)
Show SMILES CCOC(=O)N\N=C1\c2ccccc2-c2nc3nonc3nc12
Show InChI InChI=1S/C14H10N6O3/c1-2-22-14(21)18-17-10-8-6-4-3-5-7(8)9-11(10)16-13-12(15-9)19-23-20-13/h3-6H,2H2,1H3,(H,18,21)/b17-10-
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.37E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA031666-01A1 Project Title: Flow Cytometry HTS of Small Molecules that Regulate V-ATPa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2MK6BGR
More data for this
Ligand-Target Pair
V-type proton ATPase subunit c'


(Saccharomyces cerevisiae S288c)
BDBM63397
PNG
(MLS000723546 | SMR000305141 | cid_5833488 | ethyl ...)
Show SMILES CCOC(=O)N\N=C1\c2ccccc2-c2nc3nonc3nc12
Show InChI InChI=1S/C14H10N6O3/c1-2-22-14(21)18-17-10-8-6-4-3-5-7(8)9-11(10)16-13-12(15-9)19-23-20-13/h3-6H,2H2,1H3,(H,18,21)/b17-10-
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.71E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA031666-01A1 Project Title: Flow Cytometry HTS of Small Molecules that Regulate V-ATPa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CJ7
More data for this
Ligand-Target Pair