Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 528.9 BDBM405848

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))	BDBM405848 (US10351558, Example 23) Show SMILES Cc1ccc(O)c2c3C[C@@](C)(CCc3nn12)NC(=O)c1ccc(cc1Cl)-n1cnc2cc(ccc12)C(N)=O |r| Show InChI InChI=1S/C28H25ClN6O3/c1-15-3-8-24(36)25-19-13-28(2,10-9-21(19)33-35(15)25)32-27(38)18-6-5-17(12-20(18)29)34-14-31-22-11-16(26(30)37)4-7-23(22)34/h3-8,11-12,14,36H,9-10,13H2,1-2H3,(H2,30,37)(H,32,38)/t28-/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	2.44	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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