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BDBM50285274 CHEMBL307966::{(1S,2R)-1-Benzyl-3-[(S)-2-tert-butylcarbamoyl-4-(2-sec-butyl-pyridin-4-ylmethyl)-piperazin-1-yl]-2-hydroxy-propyl}-carbamic acid (2R,3R)-2-isopropyl-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl ester

SMILES: CCC(C)c1cc(CN2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@@H](C2)C(=O)NC(C)(C)C)ccn1

InChI Key: InChIKey=HJGGEQSINIZGAQ-WSSRBVAHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50285274   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)		BDBM50285274
PNG
(CHEMBL307966 | {(1S,2R)-1-Benzyl-3-[(S)-2-tert-but...)
Show SMILES CCC(C)c1cc(CN2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@@H](C2)C(=O)NC(C)(C)C)ccn1
Show InChI InChI=1S/C37H57N5O6S/c1-8-26(4)29-21-28(14-16-38-29)22-41-17-18-42(31(23-41)35(44)40-37(5,6)7)24-32(43)30(20-27-12-10-9-11-13-27)39-36(45)48-33-15-19-49(46,47)34(33)25(2)3/h9-14,16,21,25-26,30-34,43H,8,15,17-20,22-24H2,1-7H3,(H,39,45)(H,40,44)/t26?,30-,31-,32+,33+,34+/m0/s1
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PC cid
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Similars
Article
n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease enzyme.

Bioorg Med Chem Lett 5: 2239-2244 (1995)


Article DOI: 10.1016/0960-894X(95)00385-7
BindingDB Entry DOI: 10.7270/Q23R0SVV
More data for this
Ligand-Target Pair