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BDBM126682 US8785638, 170

SMILES: Cc1ccc(cc1)-c1c(C(OC(C)(C)C)C(O)=O)c(C)nc2sc3CCCCc3c12

InChI Key: InChIKey=KGZUOAKLAQZEMA-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 126682   
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))
BDBM126682
PNG
(US8785638, 170)
Show SMILES Cc1ccc(cc1)-c1c(C(OC(C)(C)C)C(O)=O)c(C)nc2sc3CCCCc3c12
Show InChI InChI=1S/C25H29NO3S/c1-14-10-12-16(13-11-14)20-19(22(24(27)28)29-25(3,4)5)15(2)26-23-21(20)17-8-6-7-9-18(17)30-23/h10-13,22H,6-9H2,1-5H3,(H,27,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50n/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 ...


US Patent US8785638 (2014)


BindingDB Entry DOI: 10.7270/Q2S18167
More data for this
Ligand-Target Pair