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BDBM126686 US8785638, 177

SMILES: Cc1nc2sc3CCCCc3c2c(-c2cnn(C)c2)c1C(OC(C)(C)C)C(O)=O

InChI Key: InChIKey=GUYHTISXRGEIML-UHFFFAOYSA-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 = 126686   
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
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM126686
PNG
(US8785638, 177)
Show SMILES Cc1nc2sc3CCCCc3c2c(-c2cnn(C)c2)c1C(OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C22H27N3O3S/c1-12-16(19(21(26)27)28-22(2,3)4)17(13-10-23-25(5)11-13)18-14-8-6-7-9-15(14)29-20(18)24-12/h10-11,19H,6-9H2,1-5H3,(H,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.17E+4n/an/an/an/a7.44



Katholieke Universiteit Leuven

US Patent


Assay Description
The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume ...


Citation and Details
More data for this
Ligand-Target Pair