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BDBM50027122 2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate::CHEMBL310660

SMILES: COC1\C=C\OC2(C)Oc3c(C2=O)c2ccc(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C

InChI Key: InChIKey=ZGXOTNGRBLIADW-XCWCGUGGSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50027122   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA polymerase beta


(Mus musculus)
BDBM50027122
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2ccc(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C
Show InChI InChI=1S/C37H47NO11/c1-17-11-10-12-18(2)36(45)38-25-14-13-24-27(32(25)43)31(42)22(6)34-28(24)35(44)37(8,49-34)47-16-15-26(46-9)19(3)33(48-23(7)39)21(5)30(41)20(4)29(17)40/h10-17,19-21,26,29-30,33,40-43H,1-9H3,(H,38,45)/b11-10+,16-15+,18-12-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.00110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase


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
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027122
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2ccc(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C
Show InChI InChI=1S/C37H47NO11/c1-17-11-10-12-18(2)36(45)38-25-14-13-24-27(32(25)43)31(42)22(6)34-28(24)35(44)37(8,49-34)47-16-15-26(46-9)19(3)33(48-23(7)39)21(5)30(41)20(4)29(17)40/h10-17,19-21,26,29-30,33,40-43H,1-9H3,(H,38,45)/b11-10+,16-15+,18-12-
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.000370n/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