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BDBM50027112 2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-N-Cyclopentadecyl-N'-methylene-hydrazine-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::CHEMBL441064

SMILES: [#6]-[#8]-[#6]-1\[#6]=[#6]\[#8]C2([#6])[#8]-c3c(-[#6]2=O)c2cc(-[#6]-[#7]\[#7]=[#6]-4\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-4)c(-[#7]-[#6](=O)-[#6](-[#6])=[#6]-[#6]=[#6]-[#6](-[#6])-[#6](-[#8])-[#6](-[#6])-[#6](-[#8])-[#6](-[#6])-[#6](-[#8]-[#6](-[#6])=O)-[#6]-1-[#6])c(-[#8])c2c(-[#8])c3-[#6]

InChI Key: InChIKey=WXULYAYNPMYLDF-RBRZUFQSSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50027112   
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)
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?
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0000150n/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)
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