Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 493.9 BDBM405886

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))	BDBM405886 (US10351558, Example 61) Show SMILES Cc1ccc2n3C[C@@](CCc3nc2c1)(NC(=O)c1ccc(cc1Cl)-c1cncnc1)c1ccccc1 |r| Show InChI InChI=1S/C29H24ClN5O/c1-19-7-10-26-25(13-19)33-27-11-12-29(17-35(26)27,22-5-3-2-4-6-22)34-28(36)23-9-8-20(14-24(23)30)21-15-31-18-32-16-21/h2-10,13-16,18H,11-12,17H2,1H3,(H,34,36)/t29-/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	5.55	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp US Patent					Assay Description TBD				US Patent US10351558 (2019) BindingDB Entry DOI: 10.7270/Q2SX6GKR
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