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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 = 'BDBM50046407'   
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)		BDBM50046407
PNG
(CHEMBL113627 | {1-[1-Benzyl-3-(2-benzyloxycarbonyl...)
Show SMILES CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1cccnc1)C(C)C
Show InChI InChI=1S/C42H51N5O7/c1-28(2)36(46-41(51)53-26-32-19-12-7-13-20-32)39(49)44-34(23-30-15-8-5-9-16-30)38(48)35(24-31-17-10-6-11-18-31)45-40(50)37(29(3)4)47-42(52)54-27-33-21-14-22-43-25-33/h5-22,25,28-29,34-38,48H,23-24,26-27H2,1-4H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t34-,35-,36+,37-,38-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4n/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