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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'V-type proton ATPase subunit C' AND taxid = 7130   
Target
(Institution)
LigandTarget
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


(Manduca sexta)
BDBM50402216
PNG
(CHEMBL2203994)
Show SMILES CNC(=O)O[C@@H](CC(C)C)c1nc(cs1)[C@H]1OC(=O)\C(C)=C\C\C(C)=C\[C@@H](OC(=O)c2ccc(cc2)C2(N=N2)C(F)(F)F)[C@@H](C)\C=C(\C)/C=C(/C)\C=C\[C@@H](OC(=O)c2ccc(cc2)C2(N=N2)C(F)(F)F)[C@H](C)[C@H](OC)\C(C)=C\C=C\[C@@H]1C
Show InChI InChI=1S/C60H68F6N6O9S/c1-33(2)28-49(80-56(76)67-11)52-68-46(32-82-52)51-38(7)15-13-14-37(6)50(77-12)41(10)47(78-54(74)42-19-23-44(24-20-42)57(69-70-57)59(61,62)63)27-17-34(3)29-36(5)30-40(9)48(31-35(4)16-18-39(8)53(73)81-51)79-55(75)43-21-25-45(26-22-43)58(71-72-58)60(64,65)66/h13-15,17-27,29-33,38,40-41,47-51H,16,28H2,1-12H3,(H,67,76)/b15-13+,27-17+,34-29-,35-31+,36-30-,37-14+,39-18+/t38-,40-,41-,47+,48+,49-,50+,51-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Ruprecht-Karls-Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of tobacco hornworm V-ATPase c subunit


Citation and Details
More data for this
Ligand-Target Pair