Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 551.5 BDBM405983

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))	BDBM405983 (US10351558, Example 158) Show SMILES COc1ncn(n1)-c1ccc(C(=O)N[C@@]2(CCc3c(C(O)=O)c4cc(C)ccc4n3C2)c2ccccc2)c(OC)c1 |r| Show InChI InChI=1S/C31H29N5O5/c1-19-9-12-24-23(15-19)27(29(38)39)25-13-14-31(17-35(24)25,20-7-5-4-6-8-20)33-28(37)22-11-10-21(16-26(22)40-2)36-18-32-30(34-36)41-3/h4-12,15-16,18H,13-14,17H2,1-3H3,(H,33,37)(H,38,39)/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	8.55	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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