BDBM50241229 CHEMBL4085939

SMILES: C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1ccccc1

InChI Key: InChIKey=XMDZEBWEXBQMRT-DEOSSOPVSA-N

Data: 1 KI

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 = 50241229   

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
Protein-glutamine gamma-glutamyltransferase 2 (TG2) (Homo sapiens (Human))	BDBM50241229 (CHEMBL4085939) Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C28H34N4O5/c1-2-25(33)29-16-10-9-15-24(30-28(36)37-21-22-11-5-3-6-12-22)27(35)32-19-17-31(18-20-32)26(34)23-13-7-4-8-14-23/h2-8,11-14,24H,1,9-10,15-21H2,(H,29,33)(H,30,36)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.66E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ottawa Curated by ChEMBL					Assay Description Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay				J Med Chem 60: 7910-7927 (2017) Article DOI: 10.1021/acs.jmedchem.7b01070 BindingDB Entry DOI: 10.7270/Q2CN7615
					More data for this Ligand-Target Pair