BDBM50350309 CHEMBL1812662

SMILES: CC([NH3+])(CCCCB(O)O)C([O-])=O

InChI Key: InChIKey=VJCNFQNUKLFMMR-UHFFFAOYSA-N

Data: 1 KI  2 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 = 50350309   

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 (Plasmodium falciparum)	BDBM50350309 (CHEMBL1812662) Show SMILES CC([NH3+])(CCCCB(O)O)C([O-])=O Show InChI InChI=1S/C7H16BNO4/c1-7(9,6(10)11)4-2-3-5-8(12)13/h12-13H,2-5,9H2,1H3,(H,10,11)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum arginase using L-arginine as substrate by colorimetric assay				J Med Chem 54: 5432-43 (2011) Article DOI: 10.1021/jm200443b BindingDB Entry DOI: 10.7270/Q2TH8N21
					More data for this Ligand-Target Pair
Arginase-1 (Homo sapiens (Human))	BDBM50350309 (CHEMBL1812662) Show SMILES CC([NH3+])(CCCCB(O)O)C([O-])=O Show InChI InChI=1S/C7H16BNO4/c1-7(9,6(10)11)4-2-3-5-8(12)13/h12-13H,2-5,9H2,1H3,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery Curated by ChEMBL					Assay Description Inhibition of human recombinant full length Arg1 using L-arginine as substrate assessed as urea level after 1 hr by colorimetric assay				Bioorg Med Chem Lett 23: 2027-30 (2013) Article DOI: 10.1016/j.bmcl.2013.02.024 BindingDB Entry DOI: 10.7270/Q22J6D8K
					More data for this Ligand-Target Pair
Arginase-2, mitochondrial (Homo sapiens (Human))	BDBM50350309 (CHEMBL1812662) Show SMILES CC([NH3+])(CCCCB(O)O)C([O-])=O Show InChI InChI=1S/C7H16BNO4/c1-7(9,6(10)11)4-2-3-5-8(12)13/h12-13H,2-5,9H2,1H3,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institutes for Pharmaceutical Discovery Curated by ChEMBL					Assay Description Inhibition of human Arg2 by colorimetric assay				Bioorg Med Chem Lett 23: 2027-30 (2013) Article DOI: 10.1016/j.bmcl.2013.02.024 BindingDB Entry DOI: 10.7270/Q22J6D8K
					More data for this Ligand-Target Pair
Arginase-1 (Homo sapiens (Human))	BDBM50350309 (CHEMBL1812662) Show SMILES CC([NH3+])(CCCCB(O)O)C([O-])=O Show InChI InChI=1S/C7H16BNO4/c1-7(9,6(10)11)4-2-3-5-8(12)13/h12-13H,2-5,9H2,1H3,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a
Drexel University Curated by ChEMBL					Assay Description Binding affinity to human arginase 1 using L-arginine as substrate by surface plasmon resonance assay				J Med Chem 54: 5432-43 (2011) Article DOI: 10.1021/jm200443b BindingDB Entry DOI: 10.7270/Q2TH8N21
					More data for this Ligand-Target Pair