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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM460922'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Gag-Pol polyprotein


(HIV-1)		BDBM460922
PNG
(US10774053, Compound 36 | US11352329, COMPD # 36)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2CC2)c2ccc(Cl)c(c2)-c2cn(cn2)C(F)F)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F |r|
Show InChI InChI=1S/C34H35ClF4N8O3/c1-33(2,3)17-34(22-7-4-19(5-8-22)21-13-42-46(14-21)30(38)39)28(48)47(31(40)44-34)27(16-50-32(49)43-23-9-10-23)20-6-11-25(35)24(12-20)26-15-45(18-41-26)29(36)37/h4-8,11-15,18,23,27,29-30H,9-10,16-17H2,1-3H3,(H2,40,44)(H,43,49)/t27-,34-/m1/s1
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