BDBM392942 US10301306, Example 140

SMILES: COc1cc(ccn1)-c1c2c(CCNC2=O)n(Cc2ccc(F)cc2C#N)c1-c1ccncc1

InChI Key: InChIKey=XOAAFJQGXRVHSU-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 392942   

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))	BDBM392942 (US10301306, Example 140) Show SMILES COc1cc(ccn1)-c1c2c(CCNC2=O)n(Cc2ccc(F)cc2C#N)c1-c1ccncc1 Show InChI InChI=1S/C26H20FN5O2/c1-34-22-13-17(6-10-30-22)23-24-21(7-11-31-26(24)33)32(25(23)16-4-8-29-9-5-16)15-18-2-3-20(27)12-19(18)14-28/h2-6,8-10,12-13H,7,11,15H2,1H3,(H,31,33)	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