BDBM50126697 2-Nitro-benzenesulfonic acid 3-methyl-5-[2-(pyridin-4-ylamino)-ethoxy]-phenyl ester::CHEMBL25522

SMILES: Cc1cc(OCCNc2ccncc2)cc(OS(=O)(=O)c2ccccc2[N+]([O-])=O)c1

InChI Key: InChIKey=UVESJXRHRDBPBC-UHFFFAOYSA-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 = 50126697   

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))	BDBM50126697 (2-Nitro-benzenesulfonic acid 3-methyl-5-[2-(pyridi...) Show SMILES Cc1cc(OCCNc2ccncc2)cc(OS(=O)(=O)c2ccccc2[N+]([O-])=O)c1 Show InChI InChI=1S/C20H19N3O6S/c1-15-12-17(28-11-10-22-16-6-8-21-9-7-16)14-18(13-15)29-30(26,27)20-5-3-2-4-19(20)23(24)25/h2-9,12-14H,10-11H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Thrombosis Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin.				J Med Chem 46: 1293-305 (2003) Article DOI: 10.1021/jm021028j BindingDB Entry DOI: 10.7270/Q2SX6CMZ
					More data for this Ligand-Target Pair