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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 = 'BDBM50046415'   
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)		BDBM50046415
PNG
(CHEMBL322939 | N-{1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Show SMILES CC(C)[C@H](NS(=O)(=O)CCc1ccncc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NS(=O)(=O)CCc1ccncc1)C(C)C
Show InChI InChI=1S/C42H56N6O8S2/c1-29(2)37(47-57(53,54)25-19-31-15-21-43-22-16-31)41(51)45-35(27-33-11-7-5-8-12-33)39(49)40(50)36(28-34-13-9-6-10-14-34)46-42(52)38(30(3)4)48-58(55,56)26-20-32-17-23-44-24-18-32/h5-18,21-24,29-30,35-40,47-50H,19-20,25-28H2,1-4H3,(H,45,51)(H,46,52)/t35-,36-,37-,38+,39+,40+/m0/s1
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PC cid
PC sid
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Similars
PubMed
n/an/a 24n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant HIV-1 protease in a fluorogenic assay

J Med Chem 36: 320-30 (1993)


BindingDB Entry DOI: 10.7270/Q25B01J6
More data for this
Ligand-Target Pair