BDBM50228911 1-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifluoromethyl-2H-pyrazol-3-yl]-2-(3-fluoro-2'-methanesulfonyl-biphenyl-4-yl)-propan-1-one::CHEMBL269191

SMILES: CC(C(=O)c1cc(nn1-c1ccc2onc(N)c2c1)C(F)(F)F)c1ccc(cc1F)-c1ccccc1S(C)(=O)=O

InChI Key: InChIKey=SJHSAZWYJHQZSO-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 = 50228911   

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))	BDBM50228911 (1-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifluorome...) Show SMILES CC(C(=O)c1cc(nn1-c1ccc2onc(N)c2c1)C(F)(F)F)c1ccc(cc1F)-c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C27H20F4N4O4S/c1-14(17-9-7-15(11-20(17)28)18-5-3-4-6-23(18)40(2,37)38)25(36)21-13-24(27(29,30)31)33-35(21)16-8-10-22-19(12-16)26(32)34-39-22/h3-14H,1-2H3,(H2,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 749-54 (2008) Article DOI: 10.1016/j.bmcl.2007.11.040 BindingDB Entry DOI: 10.7270/Q2DV1KQS
					More data for this Ligand-Target Pair