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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'HIV-1 protease' and Ligand = 'BDBM93235'   
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)
BDBM93235
PNG
(HIV-1 Protease Inhibitor, 6f)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)NC1CCCCC1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)NC1CCCCC1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C46H68N6O10/c1-27(2)35(43(57)47-5)51-45(59)39(61-25-29-17-13-15-23-33(29)41(55)49-31-19-9-7-10-20-31)37(53)38(54)40(46(60)52-36(28(3)4)44(58)48-6)62-26-30-18-14-16-24-34(30)42(56)50-32-21-11-8-12-22-32/h13-18,23-24,27-28,31-32,35-40,53-54H,7-12,19-22,25-26H2,1-6H3,(H,47,57)(H,48,58)(H,49,55)(H,50,56)(H,51,59)(H,52,60)/t35-,36-,37+,38+,39+,40+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
196n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Fluorometric assay using HIV-1 protease.


J Comb Chem 7: 611-7 (2005)


Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM93235
PNG
(HIV-1 Protease Inhibitor, 6f)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1C(=O)NC1CCCCC1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1C(=O)NC1CCCCC1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C46H68N6O10/c1-27(2)35(43(57)47-5)51-45(59)39(61-25-29-17-13-15-23-33(29)41(55)49-31-19-9-7-10-20-31)37(53)38(54)40(46(60)52-36(28(3)4)44(58)48-6)62-26-30-18-14-16-24-34(30)42(56)50-32-21-11-8-12-22-32/h13-18,23-24,27-28,31-32,35-40,53-54H,7-12,19-22,25-26H2,1-6H3,(H,47,57)(H,48,58)(H,49,55)(H,50,56)(H,51,59)(H,52,60)/t35-,36-,37+,38+,39+,40+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Fluorometric assay using HIV-1 protease.


J Comb Chem 7: 611-7 (2005)


Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2GQ6WC5
More data for this
Ligand-Target Pair