BDBM50241234 CHEMBL4104504

SMILES: Oc1ccc2cc(C(=O)N3CCN(CC3)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc3ccccc3)c(=O)oc2c1

InChI Key: InChIKey=MWRKONWQKZWDTC-VWLOTQADSA-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 = 50241234   

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))	BDBM50241234 (CHEMBL4104504) Show SMILES Oc1ccc2cc(C(=O)N3CCN(CC3)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc3ccccc3)c(=O)oc2c1 |r| Show InChI InChI=1S/C31H34N4O8/c1-2-27(37)32-13-7-6-10-25(33-31(41)42-20-21-8-4-3-5-9-21)29(39)35-16-14-34(15-17-35)28(38)24-18-22-11-12-23(36)19-26(22)43-30(24)40/h2-5,8-9,11-12,18-19,25,36H,1,6-7,10,13-17,20H2,(H,32,37)(H,33,41)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12E+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