BDBM204317 US9242996, 396

SMILES: CSc1cc(F)cc(c1)[C@@H](CO)NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@H]1CC[C@H](O)CC1

InChI Key: InChIKey=PSTUZSXHKNYZPI-CGROQTEOSA-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 = 204317   

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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204317 (US9242996, 396) Show SMILES CSc1cc(F)cc(c1)[C@@H](CO)NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@H]1CC[C@H](O)CC1 |r,wU:29.31,wD:9.12,32.35,(6.67,-.77,;5.33,,;5.33,1.54,;6.67,2.31,;6.67,3.85,;8,4.62,;5.33,4.62,;4,3.85,;4,2.31,;2.67,4.62,;2.67,6.16,;4,6.93,;1.33,3.85,;,4.62,;,6.16,;-1.33,3.85,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4,3.85,;-2.67,4.62,;-2.67,6.16,;-5.33,1.54,;-5.33,,;-6.67,-.77,;-8,,;-8,1.54,;-6.67,2.31,;-6.67,3.85,;-6.67,-2.31,;-5.33,-3.08,;-5.33,-4.62,;-6.67,-5.39,;-6.67,-6.93,;-8,-4.62,;-8,-3.08,)| Show InChI InChI=1S/C26H28F2N4O3S/c1-36-19-9-16(8-17(27)11-19)23(13-33)32-26(35)20-7-4-15(10-21(20)28)24-25(29)30-12-22(31-24)14-2-5-18(34)6-3-14/h4,7-12,14,18,23,33-34H,2-3,5-6,13H2,1H3,(H2,29,30)(H,32,35)/t14-,18-,23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0198	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair