BDBM50241231 CHEMBL4102329

SMILES: C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1ccccn1

InChI Key: InChIKey=YUQYTQCFRJWMTC-QHCPKHFHSA-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 = 50241231   

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))	BDBM50241231 (CHEMBL4102329) Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1ccccn1 |r| Show InChI InChI=1S/C27H33N5O5/c1-2-24(33)29-15-9-7-13-23(30-27(36)37-20-21-10-4-3-5-11-21)26(35)32-18-16-31(17-19-32)25(34)22-12-6-8-14-28-22/h2-6,8,10-12,14,23H,1,7,9,13,15-20H2,(H,29,33)(H,30,36)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.21E+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