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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 = 'BDBM50283144'   
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)		BDBM50283144
PNG
((6S,7S,8aS)-2-[(R)-2-Hydroxy-2-((Z)-(1S,12S)-12-is...)
Show SMILES CC(C)[C@@H]1NC(=O)\C=C/CCCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN1CC3CCCCC3C[C@H]1C(=O)NC(C)(C)C)cc2 |c:7|
Show InChI InChI=1S/C37H58N4O5/c1-25(2)34-36(45)38-30(21-26-16-18-29(19-17-26)46-20-12-8-6-7-9-15-33(43)39-34)32(42)24-41-23-28-14-11-10-13-27(28)22-31(41)35(44)40-37(3,4)5/h9,15-19,25,27-28,30-32,34,42H,6-8,10-14,20-24H2,1-5H3,(H,38,45)(H,39,43)(H,40,44)/b15-9-/t27?,28?,30-,31-,32+,34-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition HIV-1 IIIB protease.

Bioorg Med Chem Lett 4: 2217-2222 (1994)


Article DOI: 10.1016/S0960-894X(00)80074-8
BindingDB Entry DOI: 10.7270/Q2PG1RP3
More data for this
Ligand-Target Pair