BDBM388640 US9944643, 4

SMILES: COC(=O)Nc1ccc-2c(NC(=O)[C@@H](C)CCC[C@H](NC(=O)c3ccc(C[NH3+])c(c3)C3CC3)c3cc-2ccn3)c1

InChI Key: InChIKey=NSIBYUWQSPFQSN-QYBDOPJKSA-O

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 = 388640   

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))	BDBM388640 (US9944643, 4) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@@H](C)CCC[C@H](NC(=O)c3ccc(C[NH3+])c(c3)C3CC3)c3cc-2ccn3)c1 |r| Show InChI InChI=1S/C31H35N5O4/c1-18-4-3-5-26(35-30(38)21-8-9-22(17-32)25(14-21)19-6-7-19)28-15-20(12-13-33-28)24-11-10-23(34-31(39)40-2)16-27(24)36-29(18)37/h8-16,18-19,26H,3-7,17,32H2,1-2H3,(H,34,39)(H,35,38)(H,36,37)/p+1/t18-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; J T B...				Bioorg Med Chem 17: 119-32 (2009) BindingDB Entry DOI: 10.7270/Q2XW4N5K
					More data for this Ligand-Target Pair