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SMILES: CC(C)(C)NC(=O)[C@H]1CN(CCN1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12)S(=O)(=O)c1cccs1

InChI Key: InChIKey=DUBLLIBPEZQWQP-YXMOPOQUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50118961   
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)		BDBM50118961
PNG
((R)-1-[(3R,5R)-2-Hydroxy-4-((R)-2-hydroxy-indan-1-...)
Show SMILES CC(C)(C)NC(=O)[C@H]1CN(CCN1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C34H44N4O6S2/c1-34(2,3)36-33(42)28-22-38(46(43,44)30-14-9-17-45-30)16-15-37(28)21-26(39)19-25(18-23-10-5-4-6-11-23)32(41)35-31-27-13-8-7-12-24(27)20-29(31)40/h4-14,17,25-26,28-29,31,39-40H,15-16,18-22H2,1-3H3,(H,35,41)(H,36,42)/t25-,26-,28-,29-,31?/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to prevent cleavage of acompound by the HIV protease wild-type enzyme

Bioorg Med Chem Lett 12: 2855-8 (2002)


BindingDB Entry DOI: 10.7270/Q2TB167H
More data for this
Ligand-Target Pair