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SMILES: Cc1cc(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)c(cc1N)C(C)(C)C

InChI Key: InChIKey=LSWKYJFQXPGWFH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50078089   
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)		BDBM50078089
PNG
(3-(4-Amino-2-tert-butyl-5-methyl-phenylsulfanyl)-4...)
Show SMILES Cc1cc(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)c(cc1N)C(C)(C)C
Show InChI InChI=1S/C30H33NO3S/c1-20-17-26(23(18-24(20)31)29(2,3)4)35-27-25(32)19-30(34-28(27)33,22-13-9-6-10-14-22)16-15-21-11-7-5-8-12-21/h5-14,17-18,27H,15-16,19,31H2,1-4H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 11n/an/an/an/a6.2n/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro binding affinity against HIV protease at pH 6.2.

Bioorg Med Chem Lett 9: 1481-6 (1999)


BindingDB Entry DOI: 10.7270/Q2668CC2
More data for this
Ligand-Target Pair