BDBM289798 Methyl (4-(((S)-1-((R)-6-chloro-2-oxo-1,2-dihydrospiro[benzo[d][1,3]oxazine-4,3′-piperidin]-1′-yl)-4-fluoro-1-oxobutan-2-yl)carbamoyl)phenyl)carbamate::US10093683, Example 103

SMILES: COC(=O)Nc1ccc(cc1)C(=O)NC(CCF)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)cc21

InChI Key: InChIKey=YCSNGZQNTCDDGH-KUXBLMNESA-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 = 289798   

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))	BDBM289798 (Methyl (4-(((S)-1-((R)-6-chloro-2-oxo-1,2-dihydros...) Show SMILES COC(=O)Nc1ccc(cc1)C(=O)NC(CCF)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)cc21 |r| Show InChI InChI=1S/C25H26ClFN4O6/c1-36-23(34)28-17-6-3-15(4-7-17)21(32)29-20(9-11-27)22(33)31-12-2-10-25(14-31)18-13-16(26)5-8-19(18)30-24(35)37-25/h3-8,13,20H,2,9-12,14H2,1H3,(H,28,34)(H,29,32)(H,30,35)/t20?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	52	-9.93	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair