BDBM388643 US9944643, 6

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

InChI Key: InChIKey=HLASIIJCQXLQFY-LGGPFLRQSA-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 = 388643   

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))	BDBM388643 (US9944643, 6) Show SMILES CC(C)COC(=O)Nc1ccc-2c(NC(=O)[C@@H](C)CCC[C@H](NC(=O)c3ccc(CN)c(c3)C3CC3)c3cc-2ccn3)c1 |r| Show InChI InChI=1S/C34H41N5O4/c1-20(2)19-43-34(42)37-26-11-12-27-23-13-14-36-31(16-23)29(6-4-5-21(3)32(40)39-30(27)17-26)38-33(41)24-9-10-25(18-35)28(15-24)22-7-8-22/h9-17,20-22,29H,4-8,18-19,35H2,1-3H3,(H,37,42)(H,38,41)(H,39,40)/t21-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	200	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