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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50101469'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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)		BDBM50101469
PNG
(3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...)
Show SMILES CC(C)c1ncsc1CCC1(CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1)C(C)C
Show InChI InChI=1S/C28H39NO4S2/c1-16(2)24-22(34-15-29-24)9-10-28(17(3)4)13-21(31)25(26(32)33-28)35-23-11-18(5)19(14-30)12-20(23)27(6,7)8/h11-12,15-17,25,30H,9-10,13-14H2,1-8H3
PDB
MMDB

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 0.800n/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