BDBM50304722 (S)-2-(3-((S)-1-Carboxybut-3-ynyl)ureido)-6-(4-iodobenzamido)hexanoic acid::CHEMBL595408

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

InChI Key: InChIKey=RJKIJHLQIZZWQR-GJZGRUSLSA-N

Data: 2 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 2 hits for monomerid = 50304722   

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))	BDBM50304722 ((S)-2-(3-((S)-1-Carboxybut-3-ynyl)ureido)-6-(4-iod...) Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](CC#C)C(O)=O |r| Show InChI InChI=1S/C19H22IN3O6/c1-2-5-14(17(25)26)22-19(29)23-15(18(27)28)6-3-4-11-21-16(24)12-7-9-13(20)10-8-12/h1,7-10,14-15H,3-6,11H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Binding affinity to NAALADase				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase II (Homo sapiens (Human))	BDBM50304722 ((S)-2-(3-((S)-1-Carboxybut-3-ynyl)ureido)-6-(4-iod...) Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](CC#C)C(O)=O |r| Show InChI InChI=1S/C19H22IN3O6/c1-2-5-14(17(25)26)22-19(29)23-15(18(27)28)6-3-4-11-21-16(24)12-7-9-13(20)10-8-12/h1,7-10,14-15H,3-6,11H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	5.30	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)