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PDB code 4GJ6

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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
Renin

  (340/340 = 100%)
(Homo sapiens (Human))
BDBM50427565
PNG
(CHEMBL2322896)
Show SMILES Clc1ccc(cc1)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H25ClN2/c25-22-11-13-24(14-12-22)27(23-9-5-2-6-10-23)18-21-17-26-16-20(21)15-19-7-3-1-4-8-19/h1-14,20-21,26H,15-18H2/t20-,21+/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

PDB
Article
PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin expressed in CHO cells using RE(EDANS)IHPFHLVIHTK(Dabcyl)R as substrate incubated for 1 hr prior to substrate a...


J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin

  (340/340 = 100%)
(Homo sapiens (Human))
BDBM50427565
PNG
(CHEMBL2322896)
Show SMILES Clc1ccc(cc1)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H25ClN2/c25-22-11-13-24(14-12-22)27(23-9-5-2-6-10-23)18-21-17-26-16-20(21)15-19-7-3-1-4-8-19/h1-14,20-21,26H,15-18H2/t20-,21+/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin expressed in CHO cells using RE(EDANS)IHPFHLVIHTK(Dabcyl)R as substrate incubated for 1 hr prior to substrate a...


J Med Chem 56: 2207-17 (2013)


Article DOI: 10.1021/jm3017078
BindingDB Entry DOI: 10.7270/Q2FB5487
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

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