Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 519.5 BDBM405958

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))	BDBM405958 (US10351558, Example 133) Show SMILES Cc1ccc2n3C[C@@](CCc3c(CCC(O)=O)c2c1)(NC(=O)c1ccc(cc1)-n1cnnc1)c1ccccc1 |r| Show InChI InChI=1S/C31H29N5O3/c1-21-7-13-27-26(17-21)25(12-14-29(37)38)28-15-16-31(18-36(27)28,23-5-3-2-4-6-23)34-30(39)22-8-10-24(11-9-22)35-19-32-33-20-35/h2-11,13,17,19-20H,12,14-16,18H2,1H3,(H,34,39)(H,37,38)/t31-/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	3.59	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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