BDBM50223068 CHEMBL250274::N-[2-(carbamimidamidooxy)ethyl]-2-(6-chloro-2-fluoro-3-{[2-methyl-2-(pyridin-2-yl)propyl]amino}phenyl)acetamide

SMILES: [#6]C([#6])([#6]-[#7]-c1ccc(Cl)c(-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7])c1F)c1ccccn1

InChI Key: InChIKey=XAUBSIHTLVRBTE-UHFFFAOYSA-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 = 50223068   

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
Prothrombin (Homo sapiens (Human))	BDBM50223068 (CHEMBL250274 | N-[2-(carbamimidamidooxy)ethyl]-2-(...) Show SMILES [#6]C([#6])([#6]-[#7]-c1ccc(Cl)c(-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7])c1F)c1ccccn1 Show InChI InChI=1S/C20H26ClFN6O2/c1-20(2,16-5-3-4-8-25-16)12-27-15-7-6-14(21)13(18(15)22)11-17(29)26-9-10-30-28-19(23)24/h3-8,27H,9-12H2,1-2H3,(H,26,29)(H4,23,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of human thrombin after 15 mins by standard chromogenic assay				Bioorg Med Chem Lett 17: 6266-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.013 BindingDB Entry DOI: 10.7270/Q29G5MH9
					More data for this Ligand-Target Pair