BDBM50046831 CHEMBL3309680

SMILES: CC(=O)NCCOc1cc(Br)ccc1NC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O

InChI Key: InChIKey=FMRCTZSUNALYGW-IRXDYDNUSA-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 = 50046831   

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))	BDBM50046831 (CHEMBL3309680) Show SMILES CC(=O)NCCOc1cc(Br)ccc1NC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H32BrN5O10/c1-13(30)25-10-11-39-18-12-14(24)5-6-15(18)27-22(37)26-9-3-2-4-16(20(33)34)28-23(38)29-17(21(35)36)7-8-19(31)32/h5-6,12,16-17H,2-4,7-11H2,1H3,(H,25,30)(H,31,32)(H,33,34)(H,35,36)(H2,26,27,37)(H2,28,29,38)/t16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.221	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal Avi-tagged glutamate carboxypeptidase 2 extracellular domain (44 to 750 amino acids) using pteroyl-di-L-gl...				Bioorg Med Chem 22: 4099-108 (2014) Article DOI: 10.1016/j.bmc.2014.05.061 BindingDB Entry DOI: 10.7270/Q2NK3GP8
					More data for this Ligand-Target Pair				3D Structure (crystal)