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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Arginase-1' and Ligand = 'BDBM290416'   
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))
BDBM290416
PNG
((3R,4S)-3-amino-1-(2-(biphenyl-4-ylamino)ethyl)-4-...)
Show SMILES N[C@]1(CN(CCNc2ccc(cc2)-c2ccccc2)C[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C22H30BN3O4/c24-22(21(27)28)16-26(15-19(22)7-4-12-23(29)30)14-13-25-20-10-8-18(9-11-20)17-5-2-1-3-6-17/h1-3,5-6,8-11,19,25,29-30H,4,7,12-16,24H2,(H,27,28)/t19-,22-/m0/s1
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PC cid
PC sid
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US Patent
n/an/a 125n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q289193N
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM290416
PNG
((3R,4S)-3-amino-1-(2-(biphenyl-4-ylamino)ethyl)-4-...)
Show SMILES N[C@]1(CN(CCNc2ccc(cc2)-c2ccccc2)C[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C22H30BN3O4/c24-22(21(27)28)16-26(15-19(22)7-4-12-23(29)30)14-13-25-20-10-8-18(9-11-20)17-5-2-1-3-6-17/h1-3,5-6,8-11,19,25,29-30H,4,7,12-16,24H2,(H,27,28)/t19-,22-/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-1


(Homo sapiens (Human))
BDBM290416
PNG
((3R,4S)-3-amino-1-(2-(biphenyl-4-ylamino)ethyl)-4-...)
Show SMILES N[C@]1(CN(CCNc2ccc(cc2)-c2ccccc2)C[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C22H30BN3O4/c24-22(21(27)28)16-26(15-19(22)7-4-12-23(29)30)14-13-25-20-10-8-18(9-11-20)17-5-2-1-3-6-17/h1-3,5-6,8-11,19,25,29-30H,4,7,12-16,24H2,(H,27,28)/t19-,22-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2WD43K6
More data for this
Ligand-Target Pair