BDBM335420 US9732085, Comp Ex 1

SMILES: COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@H](Cc1ccccc1)NC(=O)CCc1cc(Cl)ccc1-n1cnnn1

InChI Key:

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 335420   

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))	BDBM335420 (US9732085, Comp Ex 1) Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@H](Cc1ccccc1)NC(=O)CCc1cc(Cl)ccc1-n1cnnn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6...				US Patent US9732085 (2017) BindingDB Entry DOI: 10.7270/Q25X2C2P
					More data for this Ligand-Target Pair				3D Structure (crystal)