BDBM50008099 CHEMBL1234777

SMILES: N[C@@H](CCNC(=N)NO)C(O)=O

InChI Key: InChIKey=KOBHCUDVWOTEKO-VKHMYHEASA-N

Data: 1 KI  2 IC50  1 Kd

PDB links: 4 PDB IDs match this monomer.

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 9 hits for monomerid = 50008099   

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-2, mitochondrial (Homo sapiens (Human))	BDBM50008099 (CHEMBL1234777) Show SMILES N[C@@H](CCNC(=N)NO)C(O)=O |r| Show InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of arginase 2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.044 BindingDB Entry DOI: 10.7270/Q2736THR
					More data for this Ligand-Target Pair
Arginase-2, mitochondrial (Homo sapiens (Human))	BDBM50008099 (CHEMBL1234777) Show SMILES N[C@@H](CCNC(=N)NO)C(O)=O |r| Show InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars		51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Arginase-1 (Homo sapiens (Human))	BDBM50008099 (CHEMBL1234777) Show SMILES N[C@@H](CCNC(=N)NO)C(O)=O |r| Show InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
New England Discovery Partners Curated by ChEMBL					Assay Description Inhibition of human recombinant arginase 1 expressed in Escherichia coli BL21 (DE3) assessed as reduction in urea production using L-arginine as subs...				J Med Chem 62: 8164-8177 (2019) Article DOI: 10.1021/acs.jmedchem.9b00931
					More data for this Ligand-Target Pair				3D Structure (crystal)
Arginase-1 (Homo sapiens (Human))	BDBM50008099 (CHEMBL1234777) Show SMILES N[C@@H](CCNC(=N)NO)C(O)=O |r| Show InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Arginase-1 (Rattus norvegicus)	BDBM50008099 (CHEMBL1234777) Show SMILES N[C@@H](CCNC(=N)NO)C(O)=O |r| Show InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Arginase-1 (Homo sapiens (Human))	BDBM50008099 (CHEMBL1234777) Show SMILES N[C@@H](CCNC(=N)NO)C(O)=O |r| Show InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	n/a	517	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Arginase-1 (Homo sapiens (Human))	BDBM50008099 (CHEMBL1234777) Show SMILES N[C@@H](CCNC(=N)NO)C(O)=O |r| Show InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to arginase 1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.044 BindingDB Entry DOI: 10.7270/Q2736THR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Arginase-1 (Rattus norvegicus)	BDBM50008099 (CHEMBL1234777) Show SMILES N[C@@H](CCNC(=N)NO)C(O)=O |r| Show InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of rat liver arginase				Eur J Med Chem 76: 132-44 (2014) Article DOI: 10.1016/j.ejmech.2014.02.008 BindingDB Entry DOI: 10.7270/Q2T43VM0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Arginase-1 (Bos taurus)	BDBM50008099 (CHEMBL1234777) Show SMILES N[C@@H](CCNC(=N)NO)C(O)=O |r| Show InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)