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SMILES: CC(C)C1(CCc2c[nH]c3ccccc23)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1

InChI Key: InChIKey=OTWOHFSKLDEAOX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50101472   
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)		BDBM50101472
PNG
(3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...)
Show SMILES CC(C)C1(CCc2c[nH]c3ccccc23)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1
Show InChI InChI=1S/C30H37NO4S/c1-18(2)30(12-11-20-16-31-24-10-8-7-9-22(20)24)15-25(33)27(28(34)35-30)36-26-13-19(3)21(17-32)14-23(26)29(4,5)6/h7-10,13-14,16,18,27,31-32H,11-12,15,17H2,1-6H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 0.720n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
HIV-1 protease inhibition.

J Med Chem 44: 2319-32 (2001)


BindingDB Entry DOI: 10.7270/Q2BK1D2T
More data for this
Ligand-Target Pair