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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 = 'BDBM50484277'   
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)
BDBM50484277
PNG
(CHEMBL1829140)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)NC12NC(=O)C3(O)C4C5C(C14)C1CC5C3C21 |r,THB:26:27:31:34.33,29:28:31:34.33|
Show InChI InChI=1S/C24H35N5O6/c1-4-7(2)18(27-20(32)11(25)6-30)21(33)26-8(3)19(31)28-24-15-10-5-9-12-13(10)17(24)16(12)23(35,14(9)15)22(34)29-24/h7-18,30,35H,4-6,25H2,1-3H3,(H,26,33)(H,27,32)(H,28,31)(H,29,34)/t7-,8-,9?,10?,11-,12?,13?,14?,15?,16?,17?,18-,23?,24?/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



University of KwaZulu-Natal

Curated by ChEMBL


Assay Description
Inhibition of HIV1 subtype C protease Q7K mutant expressed in Escherichia coli BL21 (DE3) pLysS using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2...


Eur J Med Chem 46: 3976-85 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.071
BindingDB Entry DOI: 10.7270/Q2WD43DZ
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM50484277
PNG
(CHEMBL1829140)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)NC12NC(=O)C3(O)C4C5C(C14)C1CC5C3C21 |r,THB:26:27:31:34.33,29:28:31:34.33|
Show InChI InChI=1S/C24H35N5O6/c1-4-7(2)18(27-20(32)11(25)6-30)21(33)26-8(3)19(31)28-24-15-10-5-9-12-13(10)17(24)16(12)23(35,14(9)15)22(34)29-24/h7-18,30,35H,4-6,25H2,1-3H3,(H,26,33)(H,27,32)(H,28,31)(H,29,34)/t7-,8-,9?,10?,11-,12?,13?,14?,15?,16?,17?,18-,23?,24?/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



University of KwaZulu-Natal

Curated by ChEMBL


Assay Description
Inhibition of HIV1 subtype C protease Q7K mutant expressed in Escherichia coli BL21 (DE3) pLysS using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2...


Eur J Med Chem 46: 3976-85 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.071
BindingDB Entry DOI: 10.7270/Q2WD43DZ
More data for this
Ligand-Target Pair