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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50282498'   
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 [489-587]


(Human immunodeficiency virus type 1)		BDBM50282498
PNG
(Bis-({(S)-3-methyl-2-[(S)-3-(2-methyl-propane-2-su...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(=O)NCP(=O)(CNC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)C)NN
Show InChI InChI=1S/C48H69N6O9PS2/c1-31(2)41(52-43(55)37(27-65(60,61)47(5,6)7)25-35-21-15-19-33-17-11-13-23-39(33)35)45(57)50-29-64(59,54-49)30-51-46(58)42(32(3)4)53-44(56)38(28-66(62,63)48(8,9)10)26-36-22-16-20-34-18-12-14-24-40(34)36/h11-24,31-32,37-38,41-42H,25-30,49H2,1-10H3,(H,50,57)(H,51,58)(H,52,55)(H,53,56)(H,54,59)/t37-,38-,41+,42+/m1/s1
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PC cid
PC sid
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Similars
Article
n/an/a 8.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity if the compound was determined against HIV protease

Bioorg Med Chem Lett 4: 1191-1194 (1994)


Article DOI: 10.1016/S0960-894X(01)80327-9
BindingDB Entry DOI: 10.7270/Q28G8KM2
More data for this
Ligand-Target Pair