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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 = 'BDBM50281206'   
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)		BDBM50281206
PNG
((2S,6S)-2,6-Dibenzyl-2,6-bis-hydroxymethyl-cyclohe...)
Show SMILES OC[C@]1(Cc2ccccc2)C[C@H](O)C[C@](CO)(Cc2ccccc2)[C@@H]1O |wU:14.17,2.1,24.27,11.12,wD:2.2,14.15,(9.9,-9.59,;9.14,-10.94,;9.91,-12.28,;8.58,-13.04,;7.25,-12.25,;7.26,-10.71,;5.93,-9.94,;4.6,-10.69,;4.59,-12.24,;5.92,-13.01,;9.91,-13.81,;11.24,-14.58,;11.24,-16.12,;12.57,-13.81,;12.57,-12.28,;13.9,-13.04,;15.23,-12.28,;12.56,-10.74,;13.64,-9.64,;13.23,-8.15,;14.32,-7.05,;15.82,-7.45,;16.23,-8.94,;15.14,-10.04,;11.24,-11.5,;11.24,-9.96,)|
Show InChI InChI=1S/C22H28O4/c23-15-21(11-17-7-3-1-4-8-17)13-19(25)14-22(16-24,20(21)26)12-18-9-5-2-6-10-18/h1-10,19-20,23-26H,11-16H2/t19-,20+,21-,22-/m0/s1
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PC cid
PC sid
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Similars
Article
 8.30E+5n/an/an/an/an/an/a6.0n/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of recombinant HIV-1 protease at 37 degrees C and pH of 6.

Bioorg Med Chem Lett 3: 2717-2722 (1993)


Article DOI: 10.1016/S0960-894X(01)80749-6
BindingDB Entry DOI: 10.7270/Q2ZP4623
More data for this
Ligand-Target Pair