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SMILES: Cn1ccnc1CN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O

InChI Key: InChIKey=QYTBWEJMHPQCLS-GWCFXTLKSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 290395   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Arginase-1


(Homo sapiens (Human))
BDBM290395
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-((1-methyl-1H...)
Show SMILES Cn1ccnc1CN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
Show InChI InChI=1S/C13H23BN4O4/c1-17-6-5-16-11(17)8-18-7-10(3-2-4-14(21)22)13(15,9-18)12(19)20/h5-6,10,21-22H,2-4,7-9,15H2,1H3,(H,19,20)/t10-,13-/m0/s1
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UniChem
US Patent
n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent


Assay Description
Inhibition of arginase I (ARG I) and arginase II (ARG II) by Formula I or Formula II compounds is followed spectrophotometrically at 530 nm. The comp...


US Patent US10098902 (2018)


BindingDB Entry DOI: 10.7270/Q2319XXK
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens (Human))
BDBM290395
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-((1-methyl-1H...)
Show SMILES Cn1ccnc1CN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
Show InChI InChI=1S/C13H23BN4O4/c1-17-6-5-16-11(17)8-18-7-10(3-2-4-14(21)22)13(15,9-18)12(19)20/h5-6,10,21-22H,2-4,7-9,15H2,1H3,(H,19,20)/t10-,13-/m0/s1
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n/an/a 625n/an/an/an/a7.425



Mars, Incorporated

US Patent


Assay Description
Inhibition of arginase I (ARG I) and arginase II (ARG II) by Formula I or Formula II compounds is followed spectrophotometrically at 530 nm. The comp...


US Patent US10098902 (2018)


BindingDB Entry DOI: 10.7270/Q2319XXK
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM290395
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-((1-methyl-1H...)
Show SMILES Cn1ccnc1CN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
Show InChI InChI=1S/C13H23BN4O4/c1-17-6-5-16-11(17)8-18-7-10(3-2-4-14(21)22)13(15,9-18)12(19)20/h5-6,10,21-22H,2-4,7-9,15H2,1H3,(H,19,20)/t10-,13-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Mars, Incorporated

US Patent


Assay Description
Inhibition of arginase I (ARG I) and arginase II (ARG II) by Formula I or Formula II compounds is followed spectrophotometrically at 530 nm. The comp...


US Patent US10603330 (2020)

More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens (Human))
US11389464, Example 31
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-((1-methyl-1H...)
Show SMILES Cn1ccnc1CN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
Show InChI InChI=1S/C13H23BN4O4/c1-17-6-5-16-11(17)8-18-7-10(3-2-4-14(21)22)13(15,9-18)12(19)20/h5-6,10,21-22H,2-4,7-9,15H2,1H3,(H,19,20)/t10-,13-/m0/s1
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n/an/a 625n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM290395
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-((1-methyl-1H...)
Show SMILES Cn1ccnc1CN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
Show InChI InChI=1S/C13H23BN4O4/c1-17-6-5-16-11(17)8-18-7-10(3-2-4-14(21)22)13(15,9-18)12(19)20/h5-6,10,21-22H,2-4,7-9,15H2,1H3,(H,19,20)/t10-,13-/m0/s1
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Article
PubMed
n/an/a 100n/an/an/an/an/an/a



New England Discovery Partners

Curated by ChEMBL


Assay Description
Inhibition of human recombinant arginase 1 expressed in Escherichia coli BL21 (DE3) assessed as reduction in urea production using L-arginine as subs...


J Med Chem 62: 8164-8177 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00931
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
US11389464, Example 31
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-((1-methyl-1H...)
Show SMILES Cn1ccnc1CN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
Show InChI InChI=1S/C13H23BN4O4/c1-17-6-5-16-11(17)8-18-7-10(3-2-4-14(21)22)13(15,9-18)12(19)20/h5-6,10,21-22H,2-4,7-9,15H2,1H3,(H,19,20)/t10-,13-/m0/s1
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n/an/a 125n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens (Human))
BDBM290395
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-((1-methyl-1H...)
Show SMILES Cn1ccnc1CN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
Show InChI InChI=1S/C13H23BN4O4/c1-17-6-5-16-11(17)8-18-7-10(3-2-4-14(21)22)13(15,9-18)12(19)20/h5-6,10,21-22H,2-4,7-9,15H2,1H3,(H,19,20)/t10-,13-/m0/s1
PDB
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UniProtKB/SwissProt

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US Patent
n/an/a 2.00E+3n/an/an/an/an/an/a



Mars, Incorporated

US Patent


Assay Description
Inhibition of arginase I (ARG I) and arginase II (ARG II) by Formula I or Formula II compounds is followed spectrophotometrically at 530 nm. The comp...


US Patent US10603330 (2020)

More data for this
Ligand-Target Pair