BDBM50422376 CHEMBL116149

SMILES: COc1c(Cl)cc(Cl)cc1S(=O)(=O)Oc1cccc(OCCc2ccc(cc2)C(N)=N)c1

InChI Key: InChIKey=HLNJTVVDWHCOFS-UHFFFAOYSA-N

Data: 1 IC50

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 = 50422376   

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))	BDBM50422376 (CHEMBL116149) Show SMILES COc1c(Cl)cc(Cl)cc1S(=O)(=O)Oc1cccc(OCCc2ccc(cc2)C(N)=N)c1 Show InChI InChI=1S/C22H20Cl2N2O5S/c1-29-21-19(24)11-16(23)12-20(21)32(27,28)31-18-4-2-3-17(13-18)30-10-9-14-5-7-15(8-6-14)22(25)26/h2-8,11-13H,9-10H2,1H3,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 44: 3424-39 (2001) BindingDB Entry DOI: 10.7270/Q2D21ZWN
					More data for this Ligand-Target Pair