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BDBM50366816 ABACAVIR::Epzicom::Ziagen

SMILES: Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO)C=C3)c2n1

InChI Key: InChIKey=MCGSCOLBFJQGHM-SCZZXKLOSA-N

Data: 1 Kd  2 EC50

PDB links: 3 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50366816   
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
Serum albumin


(Homo sapiens)
BDBM50366816
PNG
(ABACAVIR | Epzicom | Ziagen)
Show SMILES Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO)C=C3)c2n1
Show InChI InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 0.440n/an/an/an/an/a



Mercer University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin with excitation at 280 nm after 2 hrs by spectrofluorimetric analysis


Bioorg Med Chem Lett 25: 3168-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.099
BindingDB Entry DOI: 10.7270/Q21N82W0
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50366816
PNG
(ABACAVIR | Epzicom | Ziagen)
Show SMILES Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO)C=C3)c2n1
Show InChI InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1
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KEGG
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/an/an/a 5.30E+3n/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
In vitro antiviral activity against HIV-1 Reverse transcriptase wild type


Bioorg Med Chem Lett 13: 1993-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00330-5
BindingDB Entry DOI: 10.7270/Q2639Q86
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50366816
PNG
(ABACAVIR | Epzicom | Ziagen)
Show SMILES Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO)C=C3)c2n1
Show InChI InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.55E+4n/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
In vitro antiviral activity against HIV-1 Reverse transcriptase M184V mutant


Bioorg Med Chem Lett 13: 1993-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00330-5
BindingDB Entry DOI: 10.7270/Q2639Q86
More data for this
Ligand-Target Pair