BDBM50098594 CHEMBL3594302

SMILES: Nc1nccc2cc(NC3c4ccc(OCCCC(=O)Nc5cccc(CNC3=O)c5)cc4)ccc12

InChI Key: InChIKey=PZWZIARVTFDAIU-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 = 50098594   

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
Coagulation factor III/Factor VIIa (fVIIa) (Homo sapiens (Human))	BDBM50098594 (CHEMBL3594302) Show SMILES Nc1nccc2cc(NC3c4ccc(OCCCC(=O)Nc5cccc(CNC3=O)c5)cc4)ccc12 Show InChI InChI=1S/C28H27N5O3/c29-27-24-11-8-22(16-20(24)12-13-30-27)33-26-19-6-9-23(10-7-19)36-14-2-5-25(34)32-21-4-1-3-18(15-21)17-31-28(26)35/h1,3-4,6-13,15-16,26,33H,2,5,14,17H2,(H2,29,30)(H,31,35)(H,32,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant TF/F7a complex using S2288 as substrate preincubated for 15 mins followed by protein addition measured for 60 mins				J Med Chem 58: 6225-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00788 BindingDB Entry DOI: 10.7270/Q2DN46TN
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