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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Arginase-1' and Ligand = 'BDBM50538518'   
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


(Homo sapiens (Human))
BDBM50538518
PNG
(CHEMBL4639162)
Show SMILES [H][C@]12CNC[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O |r|
Show InChI InChI=1S/C11H21BN2O4/c13-11(10(15)16)4-7-5-14-6-8(7)9(11)2-1-3-12(17)18/h7-9,14,17-18H,1-6,13H2,(H,15,16)/t7-,8+,9-,11-/m0/s1
PDB
MMDB

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of human arginase1 in presence of DNTB by thio ornithine generation assay


ACS Med Chem Lett 11: 582-588 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00058
BindingDB Entry DOI: 10.7270/Q26113VN
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50538518
PNG
(CHEMBL4639162)
Show SMILES [H][C@]12CNC[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O |r|
Show InChI InChI=1S/C11H21BN2O4/c13-11(10(15)16)4-7-5-14-6-8(7)9(11)2-1-3-12(17)18/h7-9,14,17-18H,1-6,13H2,(H,15,16)/t7-,8+,9-,11-/m0/s1
PDB
MMDB

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KEGG

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antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 148n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of arginase1 in human cancer patient serum


ACS Med Chem Lett 11: 582-588 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00058
BindingDB Entry DOI: 10.7270/Q26113VN
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50538518
PNG
(CHEMBL4639162)
Show SMILES [H][C@]12CNC[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O |r|
Show InChI InChI=1S/C11H21BN2O4/c13-11(10(15)16)4-7-5-14-6-8(7)9(11)2-1-3-12(17)18/h7-9,14,17-18H,1-6,13H2,(H,15,16)/t7-,8+,9-,11-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 361n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of arginase1 in human HEK 293 cells


ACS Med Chem Lett 11: 582-588 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00058
BindingDB Entry DOI: 10.7270/Q26113VN
More data for this
Ligand-Target Pair
Arginase-1


(Mus musculus)
BDBM50538518
PNG
(CHEMBL4639162)
Show SMILES [H][C@]12CNC[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O |r|
Show InChI InChI=1S/C11H21BN2O4/c13-11(10(15)16)4-7-5-14-6-8(7)9(11)2-1-3-12(17)18/h7-9,14,17-18H,1-6,13H2,(H,15,16)/t7-,8+,9-,11-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.66E+3n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of arginase1 in mouse BMDM cells


ACS Med Chem Lett 11: 582-588 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00058
BindingDB Entry DOI: 10.7270/Q26113VN
More data for this
Ligand-Target Pair