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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 = 'BDBM50541876'   
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)		BDBM50541876
PNG
(CHEMBL4637468)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CN1CCO[C@H](C)C1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C27H40N4O5S/c1-20(2)16-31(37(34,35)24-11-9-23(28)10-12-24)18-26(32)25(15-22-7-5-4-6-8-22)29-27(33)19-30-13-14-36-21(3)17-30/h4-12,20-21,25-26,32H,13-19,28H2,1-3H3,(H,29,33)/t21-,25+,26-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 19n/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