BDBM352304 US9802939, I-84

SMILES: COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC[C@@H]([C@H](CO)Nc2c1)C(O)=O)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1

InChI Key:

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 = 352304   

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))	BDBM352304 (US9802939, I-84) Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC[C@@H]([C@H](CO)Nc2c1)C(O)=O)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9802939 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q37
					More data for this Ligand-Target Pair