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SMILES: CCN(CC)CCN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O

InChI Key: InChIKey=APLAVBPRRARDIY-JSGCOSHPSA-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 6 hits for monomerid = 290398   
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))
BDBM290398
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-(2- (diethyla...)
Show SMILES CCN(CC)CCN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
Show InChI InChI=1S/C14H30BN3O4/c1-3-17(4-2)8-9-18-10-12(6-5-7-15(21)22)14(16,11-18)13(19)20/h12,21-22H,3-11,16H2,1-2H3,(H,19,20)/t12-,14-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
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))
BDBM290398
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-(2- (diethyla...)
Show SMILES CCN(CC)CCN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
Show InChI InChI=1S/C14H30BN3O4/c1-3-17(4-2)8-9-18-10-12(6-5-7-15(21)22)14(16,11-18)13(19)20/h12,21-22H,3-11,16H2,1-2H3,(H,19,20)/t12-,14-/m0/s1
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US Patent
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-2, mitochondrial


(Homo sapiens (Human))
BDBM290398
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-(2- (diethyla...)
Show SMILES CCN(CC)CCN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
Show InChI InChI=1S/C14H30BN3O4/c1-3-17(4-2)8-9-18-10-12(6-5-7-15(21)22)14(16,11-18)13(19)20/h12,21-22H,3-11,16H2,1-2H3,(H,19,20)/t12-,14-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
n/an/a 625n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM290398
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-(2- (diethyla...)
Show SMILES CCN(CC)CCN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
Show InChI InChI=1S/C14H30BN3O4/c1-3-17(4-2)8-9-18-10-12(6-5-7-15(21)22)14(16,11-18)13(19)20/h12,21-22H,3-11,16H2,1-2H3,(H,19,20)/t12-,14-/m0/s1
PDB
MMDB

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PC cid
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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
Arginase-1


(Homo sapiens (Human))
BDBM290398
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-(2- (diethyla...)
Show SMILES CCN(CC)CCN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
Show InChI InChI=1S/C14H30BN3O4/c1-3-17(4-2)8-9-18-10-12(6-5-7-15(21)22)14(16,11-18)13(19)20/h12,21-22H,3-11,16H2,1-2H3,(H,19,20)/t12-,14-/m0/s1
PDB
MMDB

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Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/a 125n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM290398
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-(2- (diethyla...)
Show SMILES CCN(CC)CCN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
Show InChI InChI=1S/C14H30BN3O4/c1-3-17(4-2)8-9-18-10-12(6-5-7-15(21)22)14(16,11-18)13(19)20/h12,21-22H,3-11,16H2,1-2H3,(H,19,20)/t12-,14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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