BDBM50098601 CHEMBL3594309

SMILES: CC(=O)Nc1cccc(CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccccc2)c1

InChI Key: InChIKey=XWJBKWASHCYSFJ-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 = 50098601   

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))	BDBM50098601 (CHEMBL3594309) Show SMILES CC(=O)Nc1cccc(CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccccc2)c1 Show InChI InChI=1S/C26H25N5O2/c1-17(32)30-21-9-5-6-18(14-21)16-29-26(33)24(19-7-3-2-4-8-19)31-22-10-11-23-20(15-22)12-13-28-25(23)27/h2-15,24,31H,16H2,1H3,(H2,27,28)(H,29,33)(H,30,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	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
					More data for this Ligand-Target Pair