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BDBM130381 (R)-2-amino-6-borono-2-[1-(3,4-dichlorobenzyl)piperidin-4-yl]hexanoic acid (ABH-DP)

SMILES: N[C@](CCCCB(O)O)(C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(O)=O

InChI Key: InChIKey=RLPKENIQQACFGX-GOSISDBHSA-N

Data: 1 IC50  1 Kd

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 2 hits for monomerid = 130381   
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))
BDBM130381
PNG
((R)-2-amino-6-borono-2-[1-(3,4-dichlorobenzyl)pipe...)
Show SMILES N[C@](CCCCB(O)O)(C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(O)=O
Show InChI InChI=1S/C18H27BCl2N2O4/c20-15-4-3-13(11-16(15)21)12-23-9-5-14(6-10-23)18(22,17(24)25)7-1-2-8-19(26)27/h3-4,11,14,26-27H,1-2,5-10,12,22H2,(H,24,25)/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 18n/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)

More data for this
Ligand-Target Pair
Arginase (SmARG)


(Schistosoma mansoni (flatworms))
BDBM130381
PNG
((R)-2-amino-6-borono-2-[1-(3,4-dichlorobenzyl)pipe...)
Show SMILES N[C@](CCCCB(O)O)(C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(O)=O
Show InChI InChI=1S/C18H27BCl2N2O4/c20-15-4-3-13(11-16(15)21)12-23-9-5-14(6-10-23)18(22,17(24)25)7-1-2-8-19(26)27/h3-4,11,14,26-27H,1-2,5-10,12,22H2,(H,24,25)/t18-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 540n/an/an/a8.5n/a



University of Pennsylvania



Assay Description
SmARG was dialyzed against 50 mM bicine (pH 8.5), 100 μM MnCl2, and 1.0 mM TCEP [5% (v/v) DMSO was included in the dialysis buffer when SmARG wa...


Biochemistry 53: 4671-4684 (2014)


Article DOI: 10.1021/bi5004519
BindingDB Entry DOI: 10.7270/Q2RR1WZQ
More data for this
Ligand-Target Pair