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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50541882   
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)		BDBM50541882
PNG
(CHEMBL4634362)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CN1CCOCC1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C26H38N4O5S/c1-20(2)17-30(36(33,34)23-10-8-22(27)9-11-23)18-25(31)24(16-21-6-4-3-5-7-21)28-26(32)19-29-12-14-35-15-13-29/h3-11,20,24-25,31H,12-19,27H2,1-2H3,(H,28,32)/t24-,25+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 8.5n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Science and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...

ACS Med Chem Lett 11: 1196-1204 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00043
BindingDB Entry DOI: 10.7270/Q23200F2
More data for this
Ligand-Target Pair