BDBM50240959 (S)-2-Amino-5-[N'-(2-methoxy-ethyl)-guanidino]-pentanoic acid::CHEMBL366222::N-omega-(2-methoxyethyl)-L-arginine::N~5~-{IMINO[(2-METHOXYETHYL)AMINO]METHYL}-L-ORNITHINE

SMILES: COCCNC(N)=NCCC[C@H](N)C(O)=O

InChI Key: InChIKey=XMBSMMCPKFDGEO-ZETCQYMHSA-N

Data: 2 KI  2 IC50

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 = 50240959   

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
Dimethylarginine dimethylaminohydrolase 1 (DDAH) (Homo sapiens (Human))	BDBM50240959 ((S)-2-Amino-5-[N'-(2-methoxy-ethyl)-guanidino]-pen...) Show SMILES COCCNC(N)=NCCC[C@H](N)C(O)=O |r,w:7.7| Show InChI InChI=1S/C9H20N4O3/c1-16-6-5-13-9(11)12-4-2-3-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts-University of Kiel Curated by ChEMBL					Assay Description Inhibition of human DDAH1 by plate-reader assay				Bioorg Med Chem 16: 10205-9 (2008) Article DOI: 10.1016/j.bmc.2008.10.058 BindingDB Entry DOI: 10.7270/Q23F4PG3
					More data for this Ligand-Target Pair				3D Structure (docked)
Dimethylarginine dimethylaminohydrolase 1 (DDAH) (Homo sapiens (Human))	BDBM50240959 ((S)-2-Amino-5-[N'-(2-methoxy-ethyl)-guanidino]-pen...) Show SMILES COCCNC(N)=NCCC[C@H](N)C(O)=O |r,w:7.7| Show InChI InChI=1S/C9H20N4O3/c1-16-6-5-13-9(11)12-4-2-3-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts-University Kiel Curated by ChEMBL					Assay Description Inhibition of 6xHis-tagged recombinant human DDAH1 expressed in Escherichia coli BL21 cells using NMMA as substrate measured after 30 mins by colder ...				J Med Chem 63: 425-432 (2020) Article DOI: 10.1021/acs.jmedchem.9b01230
					More data for this Ligand-Target Pair				3D Structure (docked)
Dimethylarginine dimethylaminohydrolase 1 (DDAH) (Homo sapiens (Human))	BDBM50240959 ((S)-2-Amino-5-[N'-(2-methoxy-ethyl)-guanidino]-pen...) Show SMILES COCCNC(N)=NCCC[C@H](N)C(O)=O |r,w:7.7| Show InChI InChI=1S/C9H20N4O3/c1-16-6-5-13-9(11)12-4-2-3-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts-University of Kiel Curated by ChEMBL					Assay Description Inhibition of human DDAH1 by plate-reader assay				Bioorg Med Chem 16: 10205-9 (2008) Article DOI: 10.1016/j.bmc.2008.10.058 BindingDB Entry DOI: 10.7270/Q23F4PG3
					More data for this Ligand-Target Pair				3D Structure (docked)
Dimethylarginine dimethylaminohydrolase 1 (Rattus norvegicus)	BDBM50240959 ((S)-2-Amino-5-[N'-(2-methoxy-ethyl)-guanidino]-pen...) Show SMILES COCCNC(N)=NCCC[C@H](N)C(O)=O |r,w:7.7| Show InChI InChI=1S/C9H20N4O3/c1-16-6-5-13-9(11)12-4-2-3-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts-University of Kiel Curated by ChEMBL					Assay Description Inhibition of rat DDAH				Bioorg Med Chem 16: 10205-9 (2008) Article DOI: 10.1016/j.bmc.2008.10.058 BindingDB Entry DOI: 10.7270/Q23F4PG3
					More data for this Ligand-Target Pair