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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 519   
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
HIV-1 protease


(Human immunodeficiency virus)
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

US Patent
n/an/an/an/a 7n/an/an/an/a



The Regents of the University of California

US Patent




US Patent US10071110 (2018)


BindingDB Entry DOI: 10.7270/Q2NS0WX9
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM275783
PNG
(US10071110, Compound HDP-ADV)
Show SMILES CCCCCCCCCCCCCCCCOCCCOP(O)(=O)COCn1cnc2c(N)ncnc12
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.100n/an/an/an/a



The Regents of the University of California

US Patent




US Patent US10071110 (2018)


BindingDB Entry DOI: 10.7270/Q2NS0WX9
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM50001103
PNG
((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...)
Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

US Patent
n/an/an/an/a 1.60E+4n/an/an/an/a



The Regents of the University of California

US Patent




US Patent US10071110 (2018)


BindingDB Entry DOI: 10.7270/Q2NS0WX9
More data for this
Ligand-Target Pair