BDBM50083959 3-((4E)-4-{[(E)-amino(imino)methyl]hydrazono}butyl)-5-methoxyphenyl 2-chlorobenzenesulfonate::CHEMBL338396

SMILES: COc1cc(CCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1

InChI Key: InChIKey=JPAWQEYVHZUHEB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50083959   

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
Prothrombin (Homo sapiens (Human))	BDBM50083959 (3-((4E)-4-{[(E)-amino(imino)methyl]hydrazono}butyl...) Show SMILES COc1cc(CCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 |w:9.9| Show InChI InChI=1S/C18H21ClN4O4S/c1-26-14-10-13(6-4-5-9-22-23-18(20)21)11-15(12-14)27-28(24,25)17-8-3-2-7-16(17)19/h2-3,7-12H,4-6H2,1H3,(H4,20,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory constant against human alpha thrombin				Bioorg Med Chem Lett 10: 1-4 (2000) BindingDB Entry DOI: 10.7270/Q2HH6J9C
					More data for this Ligand-Target Pair
Chymotrypsin (Homo sapiens (Human))	BDBM50083959 (3-((4E)-4-{[(E)-amino(imino)methyl]hydrazono}butyl...) Show SMILES COc1cc(CCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 |w:9.9| Show InChI InChI=1S/C18H21ClN4O4S/c1-26-14-10-13(6-4-5-9-22-23-18(20)21)11-15(12-14)27-28(24,25)17-8-3-2-7-16(17)19/h2-3,7-12H,4-6H2,1H3,(H4,20,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory constant against human Serine protease chymotrypsin				Bioorg Med Chem Lett 10: 1-4 (2000) BindingDB Entry DOI: 10.7270/Q2HH6J9C
					More data for this Ligand-Target Pair