BDBM50427900 (R)-2-amino-6-borono-2-[2-(piperidin-1-yl)ethyl]hexanoic acid (ABH-PE)::CHEMBL2326089

SMILES: N[C@](CCCCB(O)O)(CCN1CCCCC1)C(O)=O

InChI Key: InChIKey=CHPILBYRQPOXMV-CYBMUJFWSA-N

Data: 3 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 4 hits for monomerid = 50427900   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Arginase (SmARG) (Schistosoma mansoni (flatworms))	BDBM50427900 ((R)-2-amino-6-borono-2-[2-(piperidin-1-yl)ethyl]he...) Show SMILES N[C@](CCCCB(O)O)(CCN1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C13H27BN2O4/c15-13(12(17)18,6-2-3-8-14(19)20)7-11-16-9-4-1-5-10-16/h19-20H,1-11,15H2,(H,17,18)/t13-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	260	n/a	n/a	n/a	8.5	n/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
Arginase-1 (Homo sapiens (Human))	BDBM50427900 ((R)-2-amino-6-borono-2-[2-(piperidin-1-yl)ethyl]he...) Show SMILES N[C@](CCCCB(O)O)(CCN1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C13H27BN2O4/c15-13(12(17)18,6-2-3-8-14(19)20)7-11-16-9-4-1-5-10-16/h19-20H,1-11,15H2,(H,17,18)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery , LLC Curated by ChEMBL					Assay Description Inhibition of human arginase 1 transfected in CHO cells assessed as inhibition of urea formation after 24 hrs by spectrophotometric analysis				J Med Chem 56: 2568-80 (2013) Article DOI: 10.1021/jm400014c BindingDB Entry DOI: 10.7270/Q2BC40WP
					More data for this Ligand-Target Pair
Arginase-2, mitochondrial (Homo sapiens (Human))	BDBM50427900 ((R)-2-amino-6-borono-2-[2-(piperidin-1-yl)ethyl]he...) Show SMILES N[C@](CCCCB(O)O)(CCN1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C13H27BN2O4/c15-13(12(17)18,6-2-3-8-14(19)20)7-11-16-9-4-1-5-10-16/h19-20H,1-11,15H2,(H,17,18)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	509	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery , LLC Curated by ChEMBL					Assay Description Inhibition of human recombinant fully active truncated form of arginase 2 overexpressed in Escherichia coli BL21(DE3) assessed as inhibition of urea ...				J Med Chem 56: 2568-80 (2013) Article DOI: 10.1021/jm400014c BindingDB Entry DOI: 10.7270/Q2BC40WP
					More data for this Ligand-Target Pair
Arginase-1 (Homo sapiens (Human))	BDBM50427900 ((R)-2-amino-6-borono-2-[2-(piperidin-1-yl)ethyl]he...) Show SMILES N[C@](CCCCB(O)O)(CCN1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C13H27BN2O4/c15-13(12(17)18,6-2-3-8-14(19)20)7-11-16-9-4-1-5-10-16/h19-20H,1-11,15H2,(H,17,18)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	223	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery , LLC Curated by ChEMBL					Assay Description Inhibition of human recombinant full length arginase I overexpressed in Escherichia coli BL21(DE3) assessed as inhibition of urea formation after 60 ...				J Med Chem 56: 2568-80 (2013) Article DOI: 10.1021/jm400014c BindingDB Entry DOI: 10.7270/Q2BC40WP
					More data for this Ligand-Target Pair