BDBM339915 US9758480, 147

SMILES: CS(=O)(=O)NC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](CCN2C(=O)[C@H]2CC[C@@H](CC2)[C@H](N)CF)C2CCCCC2)cc1

InChI Key: InChIKey=AZDABJAPHQIUFJ-GILAWRQCSA-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 = 339915   

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 XI (Homo sapiens (Human))	BDBM339915 (US9758480, 147) Show SMILES CS(=O)(=O)NC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](CCN2C(=O)[C@H]2CC[C@@H](CC2)[C@H](N)CF)C2CCCCC2)cc1 Show InChI InChI=1S/C28H41FN4O5S/c1-39(37,38)32-26(34)20-11-13-22(14-12-20)31-27(35)25-23(18-5-3-2-4-6-18)15-16-33(25)28(36)21-9-7-19(8-10-21)24(30)17-29/h11-14,18-19,21,23-25H,2-10,15-17,30H2,1H3,(H,31,35)(H,32,34)/t19-,21-,23-,24+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd US Patent					Assay Description 0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...				US Patent US9758480 (2017) BindingDB Entry DOI: 10.7270/Q2D50Q33
					More data for this Ligand-Target Pair