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BDBM50027116 2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-Methylene-pyrrolidin-1-yl-amino-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::CHEMBL89467

SMILES: COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCC4)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=LZFYQXMHVIOVHC-TVFAPQLQSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50027116   
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)
BDBM50027116
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\N4CCCC4)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/C42H55N3O11/c1-21-13-12-14-22(2)41(52)44-33-28(20-43-45-16-10-11-17-45)19-29-31(37(33)50)36(49)26(6)39-32(29)40(51)42(8,56-39)54-18-15-30(53-9)23(3)38(55-27(7)46)25(5)35(48)24(4)34(21)47/h12-15,18-21,23-25,30,34-35,38,47-50H,10-11,16-17H2,1-9H3,(H,44,52)/b13-12+,18-15+,22-14-,43-20+
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0000170n/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)
BDBM50027116
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\N4CCCC4)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/C42H55N3O11/c1-21-13-12-14-22(2)41(52)44-33-28(20-43-45-16-10-11-17-45)19-29-31(37(33)50)36(49)26(6)39-32(29)40(51)42(8,56-39)54-18-15-30(53-9)23(3)38(55-27(7)46)25(5)35(48)24(4)34(21)47/h12-15,18-21,23-25,30,34-35,38,47-50H,10-11,16-17H2,1-9H3,(H,44,52)/b13-12+,18-15+,22-14-,43-20+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.000240n/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