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BDBM50492496 CABOTEGRAVIR::Cabotegravir::GSK-1265744A::GSK1265744::GSK1265744A::S-265744

SMILES: [H][C@@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@@H](C)CO2

InChI Key: InChIKey=WCWSTNLSLKSJPK-LKFCYVNXSA-N

Data: 1 IC50

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50492496   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrase


(Human immunodeficiency virus 1)
BDBM50492496
PNG
(CABOTEGRAVIR | Cabotegravir | GSK-1265744A | GSK12...)
Show SMILES C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity using [3H]-DNA as substrate preincubated for 60 mins prior to substrate addition measured afte...


J Med Chem 56: 5901-16 (2013)


Article DOI: 10.1021/jm400645w
BindingDB Entry DOI: 10.7270/Q21G0Q64
More data for this
Ligand-Target Pair