BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 protease' and Ligand = 'BDBM50407048'   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50407048
PNG
(CHEMBL3085513)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C38H48N6O6/c1-38(2,3)43-36(49)31-20-25-14-7-8-15-26(25)22-44(31)37(50)33(46)29(19-23-11-5-4-6-12-23)41-35(48)30(21-32(39)45)42-34(47)28-18-17-24-13-9-10-16-27(24)40-28/h4-6,9-13,16-18,25-26,29-31,33,46H,7-8,14-15,19-22H2,1-3H3,(H2,39,45)(H,41,48)(H,42,47)(H,43,49)/t25-,26+,29-,30-,31-,33-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27.0n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory potency against HIV-1 protease


J Med Chem 36: 4152-60 (1994)


Article DOI: 10.1021/jm00078a003
BindingDB Entry DOI: 10.7270/Q2PK0HCT
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50407048
PNG
(CHEMBL3085513)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C38H48N6O6/c1-38(2,3)43-36(49)31-20-25-14-7-8-15-26(25)22-44(31)37(50)33(46)29(19-23-11-5-4-6-12-23)41-35(48)30(21-32(39)45)42-34(47)28-18-17-24-13-9-10-16-27(24)40-28/h4-6,9-13,16-18,25-26,29-31,33,46H,7-8,14-15,19-22H2,1-3H3,(H2,39,45)(H,41,48)(H,42,47)(H,43,49)/t25-,26+,29-,30-,31-,33-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Syntex Research Canada

Curated by ChEMBL


Assay Description
Inhibitory activity of the Compound was tested against HIV protease enzyme.


J Med Chem 35: 1318-20 (1992)


Article DOI: 10.1021/jm00085a020
BindingDB Entry DOI: 10.7270/Q2W959T5
More data for this
Ligand-Target Pair