BindingDB logo
myBDB logout

null

SMILES: CC(C)C1(CCc2cncs2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1

InChI Key: InChIKey=AJOZIGSMRHBXMK-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50101491   
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)		BDBM50101491
PNG
(CHEMBL77497 | x3-(2-tert-Butyl-4-hydroxymethyl-5-m...)
Show SMILES CC(C)C1(CCc2cncs2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1
Show InChI InChI=1S/C25H33NO4S2/c1-15(2)25(8-7-18-12-26-14-31-18)11-20(28)22(23(29)30-25)32-21-9-16(3)17(13-27)10-19(21)24(4,5)6/h9-10,12,14-15,22,27H,7-8,11,13H2,1-6H3
PDB
MMDB

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 0.240n/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