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SMILES: CCO[C@@H]1C[C@H](N(C[C@@H](O)CNC(=O)[C@@H]2N[C@H](SC2(C)C)C(NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)C1)C(=O)NC(C)(C)C

InChI Key: InChIKey=SRLQMLZZYWJJOR-WYMZSSBUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037838   
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)		BDBM50037838
PNG
((2R,4S)-2-[Benzylcarbamoyl-((S)-phenylacetylamino)...)
Show SMILES CCO[C@@H]1C[C@H](N(C[C@@H](O)CNC(=O)[C@@H]2N[C@H](SC2(C)C)C(NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)C1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C37H54N6O6S/c1-7-49-27-19-28(32(46)42-36(2,3)4)43(23-27)22-26(44)21-39-34(48)31-37(5,6)50-35(41-31)30(33(47)38-20-25-16-12-9-13-17-25)40-29(45)18-24-14-10-8-11-15-24/h8-17,26-28,30-31,35,41,44H,7,18-23H2,1-6H3,(H,38,47)(H,39,48)(H,40,45)(H,42,46)/t26-,27+,28-,30?,31-,35+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>3.50E+4n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase

J Med Chem 37: 3707-16 (1994)


BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair