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SMILES: CC(C)[C@H](NC(=O)N[C@@H](C)S(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@H]1Cc2ccc(OCCCNC(=O)[C@@H](NC1=O)C(C)C)cc2

InChI Key: InChIKey=MBHINOUPXNHYSN-FPKRYRDLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50096450   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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)		BDBM50096450
PNG
((2R,3S)-2-Hydroxy-N-((8S,11S)-8-isopropyl-7,10-dio...)
Show SMILES CC(C)[C@H](NC(=O)N[C@@H](C)S(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@H]1Cc2ccc(OCCCNC(=O)[C@@H](NC1=O)C(C)C)cc2
Show InChI InChI=1S/C42H56N6O9S/c1-25(2)35-39(51)43-21-10-22-57-31-17-15-30(16-18-31)24-34(38(50)47-35)46-41(53)37(49)33(23-29-11-8-7-9-12-29)45-40(52)36(26(3)4)48-42(54)44-28(6)58(55,56)32-19-13-27(5)14-20-32/h7-9,11-20,25-26,28,33-37,49H,10,21-24H2,1-6H3,(H,43,51)(H,45,52)(H,46,53)(H,47,50)(H2,44,48,54)/t28-,33+,34+,35+,36+,37-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 13n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human immunodeficiency virus (HIV) protease

Bioorg Med Chem Lett 11: 219-22 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52NW4
More data for this
Ligand-Target Pair