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SMILES: N[C@]1(CN(CC2Cc3c(Cl)cc(Cl)cc3CN2)C[C@@H]1CCCB(O)O)C(O)=O

InChI Key: InChIKey=LCNLEWNKLMUFMQ-PKZGSEHASA-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 = 290423   
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))
BDBM290423
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-((5,7-dichlor...)
Show SMILES N[C@]1(CN(CC2Cc3c(Cl)cc(Cl)cc3CN2)C[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C18H26BCl2N3O4/c20-13-4-11-7-23-14(6-15(11)16(21)5-13)9-24-8-12(2-1-3-19(27)28)18(22,10-24)17(25)26/h4-5,12,14,23,27-28H,1-3,6-10,22H2,(H,25,26)/t12-,14?,18-/m0/s1
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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))
BDBM290423
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-((5,7-dichlor...)
Show SMILES N[C@]1(CN(CC2Cc3c(Cl)cc(Cl)cc3CN2)C[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C18H26BCl2N3O4/c20-13-4-11-7-23-14(6-15(11)16(21)5-13)9-24-8-12(2-1-3-19(27)28)18(22,10-24)17(25)26/h4-5,12,14,23,27-28H,1-3,6-10,22H2,(H,25,26)/t12-,14?,18-/m0/s1
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PC sid
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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))
BDBM290423
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-((5,7-dichlor...)
Show SMILES N[C@]1(CN(CC2Cc3c(Cl)cc(Cl)cc3CN2)C[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C18H26BCl2N3O4/c20-13-4-11-7-23-14(6-15(11)16(21)5-13)9-24-8-12(2-1-3-19(27)28)18(22,10-24)17(25)26/h4-5,12,14,23,27-28H,1-3,6-10,22H2,(H,25,26)/t12-,14?,18-/m0/s1
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PC sid
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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))
BDBM290423
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-((5,7-dichlor...)
Show SMILES N[C@]1(CN(CC2Cc3c(Cl)cc(Cl)cc3CN2)C[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C18H26BCl2N3O4/c20-13-4-11-7-23-14(6-15(11)16(21)5-13)9-24-8-12(2-1-3-19(27)28)18(22,10-24)17(25)26/h4-5,12,14,23,27-28H,1-3,6-10,22H2,(H,25,26)/t12-,14?,18-/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-1


(Homo sapiens (Human))
BDBM290423
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-((5,7-dichlor...)
Show SMILES N[C@]1(CN(CC2Cc3c(Cl)cc(Cl)cc3CN2)C[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C18H26BCl2N3O4/c20-13-4-11-7-23-14(6-15(11)16(21)5-13)9-24-8-12(2-1-3-19(27)28)18(22,10-24)17(25)26/h4-5,12,14,23,27-28H,1-3,6-10,22H2,(H,25,26)/t12-,14?,18-/m0/s1
PDB
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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))
BDBM290423
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-((5,7-dichlor...)
Show SMILES N[C@]1(CN(CC2Cc3c(Cl)cc(Cl)cc3CN2)C[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C18H26BCl2N3O4/c20-13-4-11-7-23-14(6-15(11)16(21)5-13)9-24-8-12(2-1-3-19(27)28)18(22,10-24)17(25)26/h4-5,12,14,23,27-28H,1-3,6-10,22H2,(H,25,26)/t12-,14?,18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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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