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PDB code 3BGB

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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

  (99/99 = 100%)
(Human immunodeficiency virus type 1)
BDBM32391
PNG
(iso-butyl-substituted sulfonamide, 9b)
Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C24H39N5O4S2/c1-19(2)17-28(34(30,31)23-9-5-21(25)6-10-23)15-13-27-14-16-29(18-20(3)4)35(32,33)24-11-7-22(26)8-12-24/h5-12,19-20,27H,13-18,25-26H2,1-4H3
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
900 -34.3n/an/an/an/an/a5.523



Philipps-University Marburg



Assay Description
Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...


Citation and Details
More data for this
Ligand-Target Pair

Similar Ligands in BindingDB*

Found 1 hit Enzyme Inhibition Constant Data.   
Target
(Institution)
LigandTarget
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

  (99/99 = 100%)
(Human immunodeficiency virus type 1)
BDBM32390
PNG
(iso-butyl-substituted sulfonamide, 9a)
Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H37N3O4S2/c1-21(2)19-26(32(28,29)23-11-7-5-8-12-23)17-15-25-16-18-27(20-22(3)4)33(30,31)24-13-9-6-10-14-24/h5-14,21-22,25H,15-20H2,1-4H3
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.00E+4 -28.3n/an/an/an/an/a5.523



Philipps-University Marburg



Assay Description
Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...


Citation and Details
More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output