BDBM50083962 3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}propyl)oxy]-5-methylphenyl naphthalene-1-ylsulfonate::CHEMBL128560

SMILES: Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2cccc3ccccc23)c1

InChI Key: InChIKey=JYTQOPBDCWNEBZ-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 = 50083962   

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))	BDBM50083962 (3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...) Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2cccc3ccccc23)c1 |w:8.8| Show InChI InChI=1S/C21H22N4O4S/c1-15-12-17(28-11-5-10-24-25-21(22)23)14-18(13-15)29-30(26,27)20-9-4-7-16-6-2-3-8-19(16)20/h2-4,6-10,12-14H,5,11H2,1H3,(H4,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	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
Trypsin (Bos taurus (bovine))	BDBM50083962 (3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...) Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2cccc3ccccc23)c1 |w:8.8| Show InChI InChI=1S/C21H22N4O4S/c1-15-12-17(28-11-5-10-24-25-21(22)23)14-18(13-15)29-30(26,27)20-9-4-7-16-6-2-3-8-19(16)20/h2-4,6-10,12-14H,5,11H2,1H3,(H4,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.50E+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 Inhibitory constant against human trypsin				Bioorg Med Chem Lett 10: 1-4 (2000) BindingDB Entry DOI: 10.7270/Q2HH6J9C
					More data for this Ligand-Target Pair