BDBM392806 N-(4-(3-(4-Fluorophenyl)-1-(4-methylbenzyl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)pyridin-2-yl)acetamide::US10301306, Example 4

SMILES: CC(=O)Nc1cc(ccn1)-c1c(c2c(CCNC2=O)n1Cc1ccc(C)cc1)-c1ccc(F)cc1

InChI Key: InChIKey=KFONOMXUWDWRSM-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 = 392806   

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))	BDBM392806 (N-(4-(3-(4-Fluorophenyl)-1-(4-methylbenzyl)-4-oxo-...) Show SMILES CC(=O)Nc1cc(ccn1)-c1c(c2c(CCNC2=O)n1Cc1ccc(C)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H25FN4O2/c1-17-3-5-19(6-4-17)16-33-23-12-14-31-28(35)26(23)25(20-7-9-22(29)10-8-20)27(33)21-11-13-30-24(15-21)32-18(2)34/h3-11,13,15H,12,14,16H2,1-2H3,(H,31,35)(H,30,32,34)	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