BDBM170426 US9079929, 78

SMILES: CNC(=O)c1ccc(cn1)-c1cccc2C(N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O

InChI Key: InChIKey=VMAUGPZECBWQAT-GXDHUFHOSA-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 = 170426   

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))	BDBM170426 (US9079929, 78) Show SMILES CNC(=O)c1ccc(cn1)-c1cccc2C(N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C34H26ClFN8O5/c1-37-32(46)27-12-7-20(17-38-27)22-3-2-4-24-23(22)15-16-43(31(24)33(47)40-21-8-5-19(6-9-21)34(48)49)29(45)14-10-25-28(44-18-39-41-42-44)13-11-26(35)30(25)36/h2-14,17-18,31H,15-16H2,1H3,(H,37,46)(H,40,47)(H,48,49)/b14-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	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 US9079929 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z82
					More data for this Ligand-Target Pair