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PDB code 3BGC

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)
BDBM32387
PNG
(phenyl-substituted sulfonamides, 6d)
Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CCNCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1)Cc1ccccc1
Show InChI InChI=1S/C30H35N5O4S2/c31-27-11-15-29(16-12-27)40(36,37)34(23-25-7-3-1-4-8-25)21-19-33-20-22-35(24-26-9-5-2-6-10-26)41(38,39)30-17-13-28(32)14-18-30/h1-18,33H,19-24,31-32H2
PDB
MMDB

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

Similars

AffyNet 
Article
PubMed
9.60E+3 -28.4n/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...


Bioorg Med Chem 16: 8574-86 (2008)

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)
BDBM32384
PNG
(phenyl-substituted sulfonamides, 6a)
Show SMILES O=S(=O)(N(CCNCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H33N3O4S2/c34-38(35,29-17-9-3-10-18-29)32(25-27-13-5-1-6-14-27)23-21-31-22-24-33(26-28-15-7-2-8-16-28)39(36,37)30-19-11-4-12-20-30/h1-20,31H,21-26H2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
3.80E+3 -30.7n/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...


Bioorg Med Chem 16: 8574-86 (2008)

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