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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 = 'BDBM50062939'   
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)		BDBM50062939
PNG
(CHEMBL347824 | [(1S,2S,4S)-1-Benzyl-4-(2-{3-ethyl-...)
Show SMILES CCN(CCc1csc(n1)C(C)C)C(=O)NC(C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1
Show InChI InChI=1S/C37H48N6O5S2/c1-5-43(17-16-29-23-49-35(41-29)25(2)3)36(46)39-26(4)34(45)40-30(18-27-12-8-6-9-13-27)20-33(44)32(19-28-14-10-7-11-15-28)42-37(47)48-22-31-21-38-24-50-31/h6-15,21,23-26,30,32-33,44H,5,16-20,22H2,1-4H3,(H,39,46)(H,40,45)(H,42,47)/t26?,30-,32-,33-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
Inhibitory concentration against purified recombinant HIV-1 protease using fluorogenic substrate

J Med Chem 41: 602-17 (1998)


Article DOI: 10.1021/jm970636+
BindingDB Entry DOI: 10.7270/Q2N58KGK
More data for this
Ligand-Target Pair