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PDB code 2G1O

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
Renin

  (333/333 = 100%)
(Homo sapiens (human))
BDBM18039
PNG
(6-ethyl-5-[9-(3-methoxypropyl)-9H-carbazol-2-yl]py...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc2c(c1)n(CCCOC)c1ccccc21
Show InChI InChI=1S/C22H25N5O/c1-3-17-20(21(23)26-22(24)25-17)14-9-10-16-15-7-4-5-8-18(15)27(19(16)13-14)11-6-12-28-2/h4-5,7-10,13H,3,6,11-12H2,1-2H3,(H4,23,24,25,26)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
PDB
Article
PubMed
n/an/a 173n/an/an/an/a7.422



Pfizer



Assay Description
The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Identical Ligands in BindingDB

Found 1 hit Isothermal Titration Calorimetry Data
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kJ/mole
-TΔS°
kJ/mole
ΔH°
kJ/mole
log KpHTemp
°C
BDBM18039
JPEG
(6-ethyl-5-[9-(3-methoxypropyl)-9H-carbazol-2-yl]py...)
Renin

(Homo sapiens (human))
DrugBank
MMDB
PC cid
PC sid
PDB
DrugBank
GoogleScholar
KEGG
PDB
-39.714.7-54.36.90728



Pfizer





Anal Biochem 360: 30-40 (2007)


Similar Ligands in BindingDB*

Found 1 hit Isothermal Titration Calorimetry Data
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kJ/mole
-TΔS°
kJ/mole
ΔH°
kJ/mole
log KpHTemp
°C
BDBM18039
JPEG
(6-ethyl-5-[9-(3-methoxypropyl)-9H-carbazol-2-yl]py...)
Renin

(Homo sapiens (human))
DrugBank
MMDB
PC cid
PC sid
PDB
DrugBank
GoogleScholar
KEGG
PDB
-39.714.7-54.36.90728



Pfizer





Anal Biochem 360: 30-40 (2007)

Search BindingMOAD for More Affinity Data:

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