BDBM50280683 (6R,7S)-2-Benzoyl-4-(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-[1,2,4]triazin-3-ylsulfanyl)-7-methoxy-3-methyl-5,5-dioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-en-8-one::CHEMBL14659

SMILES: CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)c1ccccc1)=C(C)C(Sc1nc(=O)c(=O)[nH]n1C)S2(=O)=O

InChI Key: InChIKey=YQCPZEBKYIIUMN-DQAFQZJZSA-N

Data: 1 K_on

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 = 50280683   

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
Leukocyte elastase (Homo sapiens (Human))	BDBM50280683 ((6R,7S)-2-Benzoyl-4-(6-hydroxy-2-methyl-5-oxo-2,5-...) Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)c1ccccc1)=C(C)C(Sc1nc(=O)c(=O)[nH]n1C)S2(=O)=O |t:17| Show InChI InChI=1S/C19H18N4O7S2/c1-9-11(12(24)10-7-5-4-6-8-10)23-16(27)13(30-3)17(23)32(28,29)18(9)31-19-20-14(25)15(26)21-22(19)2/h4-8,13,17-18H,1-3H3,(H,21,26)/t13-,17+,18?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	n/a	930	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase II (HLE-II) as second order rate constant				Bioorg Med Chem Lett 2: 1127-1132 (1992) Article DOI: 10.1016/S0960-894X(00)80632-0 BindingDB Entry DOI: 10.7270/Q2HT2P7Q
					More data for this Ligand-Target Pair