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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Simian sarcoma virus Pol protein' and Ligand = 'BDBM50027112'   
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
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027112
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(CNN=C4CCCCCCCCCCCCCC4)c(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C
Show InChI InChI=1S/C53H77N3O11/c1-31-23-22-24-32(2)52(63)55-44-38(30-54-56-39-25-20-18-16-14-12-10-11-13-15-17-19-21-26-39)29-40-42(48(44)61)47(60)36(6)50-43(40)51(62)53(8,67-50)65-28-27-41(64-9)33(3)49(66-37(7)57)35(5)46(59)34(4)45(31)58/h22-24,27-29,31,33-35,41,45-46,49,54,58-61H,10-21,25-26,30H2,1-9H3,(H,55,63)/b23-22?,28-27+,32-24?
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.00000100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase


J Med Chem 23: 256-61 (1980)


Article DOI: 10.1021/jm00177a009
BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair