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BDBM50027119 2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(4-methylhexahydro-1-pyrazinyliminomethyl)-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::CHEMBL313137

SMILES: COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCN(C)CC4)c(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=BULHAWBRMBVWPA-OOTPPLNISA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50027119   
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
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027119
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(\C=N\N4CCN(C)CC4)c(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/C43H58N4O11/c1-22-12-11-13-23(2)42(54)45-34-29(21-44-47-17-15-46(9)16-18-47)20-30-32(38(34)52)37(51)27(6)40-33(30)41(53)43(8,58-40)56-19-14-31(55-10)24(3)39(57-28(7)48)26(5)36(50)25(4)35(22)49/h11-14,19-22,24-26,31,35-36,39,49-52H,15-18H2,1-10H3,(H,45,54)/b12-11+,19-14+,23-13-,44-21+
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0000420n/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
DNA polymerase beta


(Mus musculus)
BDBM50027119
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(\C=N\N4CCN(C)CC4)c(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/C43H58N4O11/c1-22-12-11-13-23(2)42(54)45-34-29(21-44-47-17-15-46(9)16-18-47)20-30-32(38(34)52)37(51)27(6)40-33(30)41(53)43(8,58-40)56-19-14-31(55-10)24(3)39(57-28(7)48)26(5)36(50)25(4)35(22)49/h11-14,19-22,24-26,31,35-36,39,49-52H,15-18H2,1-10H3,(H,45,54)/b12-11+,19-14+,23-13-,44-21+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.000150n/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