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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 = 'BDBM50046412'   
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)		BDBM50046412
PNG
(CHEMBL113626 | N-{1-Benzyl-2-hydroxy-3-[3-methyl-2...)
Show SMILES CC(C)[C@H](NC(=O)\C=C\c1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)\C=C\c1cccnc1)C(C)C
Show InChI InChI=1S/C43H50N6O5/c1-29(2)39(48-37(50)21-19-33-17-11-23-44-27-33)42(53)46-35(25-31-13-7-5-8-14-31)41(52)36(26-32-15-9-6-10-16-32)47-43(54)40(30(3)4)49-38(51)22-20-34-18-12-24-45-28-34/h5-24,27-30,35-36,39-41,52H,25-26H2,1-4H3,(H,46,53)(H,47,54)(H,48,50)(H,49,51)/b21-19+,22-20+/t35-,36-,39-,40+,41?/m0/s1
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.20n/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