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BDBM50155993 CHEMBL364773::[(2S,4R)-1-Benzyl-4-(1-carbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-5-phenyl-pentyl]-carbamic acid tert-butyl ester

SMILES: CC(C)C(NC(=O)[C@@H](C[C@H](O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(N)=O

InChI Key: InChIKey=HVYMUGCBVZIYRG-FLDHPHKDSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50155993   
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)		BDBM50155993
PNG
(CHEMBL364773 | [(2S,4R)-1-Benzyl-4-(1-carbamoyl-2-...)
Show SMILES CC(C)C(NC(=O)[C@@H](C[C@H](O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C29H41N3O5/c1-19(2)25(26(30)34)32-27(35)22(16-20-12-8-6-9-13-20)18-24(33)23(17-21-14-10-7-11-15-21)31-28(36)37-29(3,4)5/h6-15,19,22-25,33H,16-18H2,1-5H3,(H2,30,34)(H,31,36)(H,32,35)/t22-,23?,24+,25?/m1/s1
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UniChem

Similars
Article
PubMed
 1.40n/an/an/an/an/an/an/an/a



University of Zürich

Curated by ChEMBL


Assay Description
Binding affinity towards human immunodeficiency virus type 1 protease determined using continuum electrostatics solvation

J Med Chem 47: 5791-7 (2004)


Article DOI: 10.1021/jm049726m
BindingDB Entry DOI: 10.7270/Q2NG4Q3W
More data for this
Ligand-Target Pair