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BDBM50073263 CHEMBL117629::{2-[(1S,3S,4S)-4-(3-Amino-2-methyl-benzoylamino)-1-benzyl-3-hydroxy-5-phenyl-pentylcarbamoyl]-phenyl}-carbamic acid pyridin-2-ylmethyl ester

SMILES: Cc1c(N)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1

InChI Key: InChIKey=BMUFHJJGKINDQD-LJDVJVEBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50073263   
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)		BDBM50073263
PNG
(CHEMBL117629 | {2-[(1S,3S,4S)-4-(3-Amino-2-methyl-...)
Show SMILES Cc1c(N)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1
Show InChI InChI=1S/C40H41N5O5/c1-27-32(19-12-20-34(27)41)38(47)44-36(24-29-15-6-3-7-16-29)37(46)25-31(23-28-13-4-2-5-14-28)43-39(48)33-18-8-9-21-35(33)45-40(49)50-26-30-17-10-11-22-42-30/h2-22,31,36-37,46H,23-26,41H2,1H3,(H,43,48)(H,44,47)(H,45,49)/t31-,36-,37-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
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Similars
PubMed
 0.120n/an/an/an/an/an/an/an/a



AIDS Drug Screening and Development Laboratory, SA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV protease

Bioorg Med Chem Lett 8: 3537-42 (1999)


BindingDB Entry DOI: 10.7270/Q2HM57MB
More data for this
Ligand-Target Pair