BDBM50241236 CHEMBL4074199

SMILES: COC(=O)CNC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1

InChI Key: InChIKey=LBQMBDWARXYDRX-INIZCTEOSA-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 = 50241236   

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))	BDBM50241236 (CHEMBL4074199) Show SMILES COC(=O)CNC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C20H27N3O6/c1-3-17(24)21-12-8-7-11-16(19(26)22-13-18(25)28-2)23-20(27)29-14-15-9-5-4-6-10-15/h3-6,9-10,16H,1,7-8,11-14H2,2H3,(H,21,24)(H,22,26)(H,23,27)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+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 Binding affinity for human placental microsome cytochrome P450 19A1 with 1 uM [1-beta-3H]-androstenedione				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