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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50091594   
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)		BDBM50091594
PNG
(2-{3-tert-Butylcarbamoyl-4-[2-hydroxy-4-(2-hydroxy...)
Show SMILES CCOC(=O)c1cnc2oc(CN3CCN(CC(O)CC(Cc4ccccc4)C(=O)NC4C(O)Cc5ccccc45)C(C3)C(=O)NC(C)(C)C)cc2c1
Show InChI InChI=1S/C41H51N5O7/c1-5-52-40(51)30-18-29-20-32(53-39(29)42-22-30)24-45-15-16-46(34(25-45)38(50)44-41(2,3)4)23-31(47)19-28(17-26-11-7-6-8-12-26)37(49)43-36-33-14-10-9-13-27(33)21-35(36)48/h6-14,18,20,22,28,31,34-36,47-48H,5,15-17,19,21,23-25H2,1-4H3,(H,43,49)(H,44,50)
PDB
MMDB

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 0.270n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Protease

J Med Chem 43: 3386-99 (2000)


BindingDB Entry DOI: 10.7270/Q23J3DP4
More data for this
Ligand-Target Pair