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SMILES: CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(C)CC2)c2ccc(Cl)c(c2)-c2ncn[nH]2)C1=O)c1ccc(cc1)C1=CN[N](=C1)C(F)F

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 556558   
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
Gag-Pol polyprotein


(HIV-1)		BDBM556558
PNG
(US11352329, COMPD # 31)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(C)CC2)c2ccc(Cl)c(c2)-c2ncn[nH]2)C1=O)c1ccc(cc1)C1=CN[N](=C1)C(F)F |r,c:48,t:45|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibitor potency against HIV protease was measured using an enzymatic assay with a fluorogenic readout. To a reaction buffer containing 100 mM ammon...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WSQ
More data for this
Ligand-Target Pair