BDBM392804 3-((3-(4-Fluorophenyl)-4-oxo-2-(pyridin-4-yl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-1-yl)methyl)benzonitrile::US10301306, Example 2

SMILES: Fc1ccc(cc1)-c1c2c(CCNC2=O)n(Cc2cccc(c2)C#N)c1-c1ccncc1

InChI Key: InChIKey=XSIAHEIXOWAAQU-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 392804   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Receptor-interacting serine/threonine-protein kinase 3 (Homo sapiens (Human))	BDBM392804 (3-((3-(4-Fluorophenyl)-4-oxo-2-(pyridin-4-yl)-4,5,...) Show SMILES Fc1ccc(cc1)-c1c2c(CCNC2=O)n(Cc2cccc(c2)C#N)c1-c1ccncc1 Show InChI InChI=1S/C26H19FN4O/c27-21-6-4-19(5-7-21)23-24-22(10-13-30-26(24)32)31(25(23)20-8-11-29-12-9-20)16-18-3-1-2-17(14-18)15-28/h1-9,11-12,14H,10,13,16H2,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The assays were performed in black 1536-well plates. The final assay volume of 2 μl contained a mixture of a fluorescently labeled HTRF probe, T...				Bioorg Med Chem Lett 18: 5018-22 (2008) BindingDB Entry DOI: 10.7270/Q2M90C19
					More data for this Ligand-Target Pair