BDBM50304736 (S)-2-(3-((S)-1-Carboxy-2-(pyridin-4-yl)ethyl)ureido)-6-(4-iodobenzamido)hexanoic acid::CHEMBL593331

SMILES: OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](Cc1ccncc1)C(O)=O

InChI Key: InChIKey=AHYKHJQLXJPPOS-ROUUACIJSA-N

Data: 1 KI

PDB links: 1 PDB ID matches 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 1 hit for monomerid = 50304736   

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
Glutamate carboxypeptidase II (Homo sapiens (Human))	BDBM50304736 ((S)-2-(3-((S)-1-Carboxy-2-(pyridin-4-yl)ethyl)urei...) Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](Cc1ccncc1)C(O)=O |r| Show InChI InChI=1S/C22H25IN4O6/c23-16-6-4-15(5-7-16)19(28)25-10-2-1-3-17(20(29)30)26-22(33)27-18(21(31)32)13-14-8-11-24-12-9-14/h4-9,11-12,17-18H,1-3,10,13H2,(H,25,28)(H,29,30)(H,31,32)(H2,26,27,33)/t17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institutions Curated by ChEMBL					Assay Description Inhibition of human cloned glutamate carboxypeptidase 2				Bioorg Med Chem Lett 20: 392-7 (2010) Article DOI: 10.1016/j.bmcl.2009.10.061 BindingDB Entry DOI: 10.7270/Q2SN092X
					More data for this Ligand-Target Pair				3D Structure (crystal)