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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 14 entry = 50018630   
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
Arginase-1


(Rattus norvegicus)
BDBM50008099
PNG
(CHEMBL1234777)
Show SMILES N[C@@H](CCNC(=N)NO)C(O)=O |r|
Show InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
n/an/a 800n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Arginase-1


(Rattus norvegicus)
BDBM50350311
PNG
(CHEMBL1812661)
Show SMILES [NH3+][C@@H](CCCCB(O)O)C([O-])=O |r|
Show InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

n/an/a 800n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arginase-1


(Rattus norvegicus)
BDBM50561034
PNG
(CHEMBL4244287)
Show SMILES N[C@@H](CSCCB(O)O)C(O)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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MCE
KEGG
PC cid
PC sid
UniChem
n/an/a 5.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arginase-1


(Rattus norvegicus)
BDBM50230418
PNG
(CHEMBL260629 | N(gamma)-hydroxy-L-arginine | N-OME...)
Show SMILES NC(NO)=NCCC[C@H]([NH3+])C([O-])=O |r,w:4.4|
Show InChI InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

MMDB
n/an/a 2.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair