BDBM286006 US10081623, Example 19

SMILES: COC(=O)Nc1ccc2c(NC(=O)[C@H](C)CCCC[C@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1

InChI Key: InChIKey=ZWOVUXOCMLKLQV-IERDGZPVSA-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 = 286006   

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))	BDBM286006 (US10081623, Example 19) Show SMILES COC(=O)Nc1ccc2c(NC(=O)[C@H](C)CCCC[C@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r| Show InChI InChI=1S/C27H31ClN8O5/c1-16-5-3-4-6-21(26(39)29-12-11-17-13-18(28)7-10-23(17)36-15-30-34-35-36)32-25(38)20-9-8-19(31-27(40)41-2)14-22(20)33-24(16)37/h7-10,13-16,21H,3-6,11-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,38)(H,33,37)/t16-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	596	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
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