BDBM50140430 2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-3-carboxylic acid {4-[N-(2-dimethylamino-ethyl)-N-methyl-carbamimidoyl]-2-fluoro-phenyl}-amide::CHEMBL418559

SMILES: CN(C)CCN(C)C(=N)c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1

InChI Key: InChIKey=VJPICVBZJDEWID-UHFFFAOYSA-N

Data: 1 IC50

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 = 50140430   

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 X (Homo sapiens (Human))	BDBM50140430 (2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...) Show SMILES CN(C)CCN(C)C(=N)c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1 Show InChI InChI=1S/C27H28F2N6O/c1-17-13-25(35(32-17)24-16-19-8-6-5-7-18(19)14-22(24)29)27(36)31-23-10-9-20(15-21(23)28)26(30)34(4)12-11-33(2)3/h5-10,13-16,30H,11-12H2,1-4H3,(H,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human coagulation factor X				Bioorg Med Chem Lett 14: 1229-34 (2004) Article DOI: 10.1016/j.bmcl.2003.12.054 BindingDB Entry DOI: 10.7270/Q2QN6664
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