BDBM50140362 2-(3-Methanesulfonyl-naphthalen-2-yl)-5-methyl-2H-pyrazole-3-carboxylic acid [2-fluoro-4-(2-oxo-piperazin-1-yl)-phenyl]-amide::CHEMBL20961

SMILES: Cc1cc(C(=O)Nc2ccc(cc2F)N2CCNCC2=O)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O

InChI Key: InChIKey=GYVDXWXWLRWWEA-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 = 50140362   

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))	BDBM50140362 (2-(3-Methanesulfonyl-naphthalen-2-yl)-5-methyl-2H-...) Show SMILES Cc1cc(C(=O)Nc2ccc(cc2F)N2CCNCC2=O)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O Show InChI InChI=1S/C26H24FN5O4S/c1-16-11-23(26(34)29-21-8-7-19(14-20(21)27)31-10-9-28-15-25(31)33)32(30-16)22-12-17-5-3-4-6-18(17)13-24(22)37(2,35)36/h3-8,11-14,28H,9-10,15H2,1-2H3,(H,29,34)	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	41	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor X				Bioorg Med Chem Lett 14: 1221-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.053 BindingDB Entry DOI: 10.7270/Q2VD6XV5
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