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SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H](CN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12)Oc1ccc2ccccc2c1

InChI Key: InChIKey=KKFXZNIYCULVFE-IREUDWJKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037524   
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)		BDBM50037524
PNG
((2S,4S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H](CN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12)Oc1ccc2ccccc2c1
Show InChI InChI=1S/C40H47N3O5/c1-40(2,3)42-39(47)35-23-33(48-32-18-17-27-13-7-8-14-28(27)21-32)25-43(35)24-31(44)20-30(19-26-11-5-4-6-12-26)38(46)41-37-34-16-10-9-15-29(34)22-36(37)45/h4-18,21,30-31,33,35-37,44-45H,19-20,22-25H2,1-3H3,(H,41,46)(H,42,47)/t30-,31+,33+,35+,36-,37?/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of HIV protease

J Med Chem 37: 3443-51 (1994)


BindingDB Entry DOI: 10.7270/Q24J0D5K
More data for this
Ligand-Target Pair