Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 498.3 BDBM393688

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor IX (Homo sapiens (Human))	BDBM393688 ((R)—N-(1-(3-Amino-5-chlorobenzo[d]isoxazol-7-yl)py...) Show SMILES Nc1noc2c(cc(Cl)cc12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnc(n1)C1CC1 |r| Show InChI InChI=1S/C23H21Cl2N7O2/c24-13-7-17-20(34-30-21(17)26)19(8-13)31-6-5-14(10-31)28-23(33)16-4-3-15(9-18(16)25)32-11-27-22(29-32)12-1-2-12/h3-4,7-9,11-12,14H,1-2,5-6,10H2,(H2,26,30)(H,28,33)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				J Med Chem 52: 2818-24 (2009) BindingDB Entry DOI: 10.7270/Q2WQ063R
					More data for this Ligand-Target Pair