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BDBM50027120 2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(Azacyclohexadec-1-yl)-methylene-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::26-(1-azacyclohexadecanyliminomethyl)-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::CHEMBL407537

SMILES: COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCCCCCCCCCCCCC4)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=FVPBGVSRZODROA-OENAJUHDSA-N

Data: 1 KI  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50027120   
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)
BDBM50027120
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\N4CCCCCCCCCCCCCCC4)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/C53H77N3O11/c1-32-24-23-25-33(2)52(63)55-44-39(31-54-56-27-21-19-17-15-13-11-10-12-14-16-18-20-22-28-56)30-40-42(48(44)61)47(60)37(6)50-43(40)51(62)53(8,67-50)65-29-26-41(64-9)34(3)49(66-38(7)57)36(5)46(59)35(4)45(32)58/h23-26,29-32,34-36,41,45-46,49,58-61H,10-22,27-28H2,1-9H3,(H,55,63)/b24-23+,29-26+,33-25-,54-31+
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.01E+8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian virus reverse transcriptase, expressed as log Ki.


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)
BDBM50027120
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\N4CCCCCCCCCCCCCCC4)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/C53H77N3O11/c1-32-24-23-25-33(2)52(63)55-44-39(31-54-56-27-21-19-17-15-13-11-10-12-14-16-18-20-22-28-56)30-40-42(48(44)61)47(60)37(6)50-43(40)51(62)53(8,67-50)65-29-26-41(64-9)34(3)49(66-38(7)57)36(5)46(59)35(4)45(32)58/h23-26,29-32,34-36,41,45-46,49,58-61H,10-22,27-28H2,1-9H3,(H,55,63)/b24-23+,29-26+,33-25-,54-31+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.00000700n/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)
BDBM50027120
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\N4CCCCCCCCCCCCCCC4)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/C53H77N3O11/c1-32-24-23-25-33(2)52(63)55-44-39(31-54-56-27-21-19-17-15-13-11-10-12-14-16-18-20-22-28-56)30-40-42(48(44)61)47(60)37(6)50-43(40)51(62)53(8,67-50)65-29-26-41(64-9)34(3)49(66-38(7)57)36(5)46(59)35(4)45(32)58/h23-26,29-32,34-36,41,45-46,49,58-61H,10-22,27-28H2,1-9H3,(H,55,63)/b24-23+,29-26+,33-25-,54-31+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0000220n/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