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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 = 'BDBM50285969'   
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)		BDBM50285969
PNG
(CHEMBL99336 | [(1R,2R)-3-((3aR,6S,7aS)-6-tert-Buty...)
Show SMILES C[C@@H]1OCC[C@@H]1OC(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C28H43N3O5S2/c1-18-24(10-12-35-18)36-27(34)29-21(17-38-20-8-6-5-7-9-20)23(32)16-31-15-19-11-13-37-25(19)14-22(31)26(33)30-28(2,3)4/h5-9,18-19,21-25,32H,10-17H2,1-4H3,(H,29,34)(H,30,33)/t18-,19+,21-,22-,23+,24-,25-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
n/an/a 0.280n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro inhibition of HIV-1 protease.

Bioorg Med Chem Lett 5: 2891-6 (1995)


Article DOI: 10.1016/0960-894X(95)00507-P
BindingDB Entry DOI: 10.7270/Q2T43R7T
More data for this
Ligand-Target Pair