Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor IX' and Ligand = 'BDBM50307273'   

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))	BDBM50307273 ((5-Methaminomethyl-2-methyl-2H-pyrazol-3-yl)-carba...) Show SMILES CNCc1cc(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)n(C)n1 Show InChI InChI=1S/C24H26N6O3S/c1-27-13-16-11-22(30(2)29-16)28-24(31)32-14-19(15-7-4-3-5-8-15)33-18-9-6-10-20-17(18)12-21(34-20)23(25)26/h3-12,19,27H,13-14H2,1-2H3,(H3,25,26)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trigen Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant factor 9a by amidolytic assay				J Med Chem 53: 1473-82 (2010) Article DOI: 10.1021/jm901476x BindingDB Entry DOI: 10.7270/Q2P84C0N
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