BDBM236878 US9388171, I-6

SMILES: CC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1ccc(OC)c(F)c1

InChI Key: InChIKey=JNQOAFHFWORJSO-LJQANCHMSA-N

Data: 2 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 2 hits for monomerid = 236878   

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
Ribosomal protein S6 kinase alpha 1 (Homo sapiens (Human))	BDBM236878 (US9388171, I-6) Show SMILES CC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1ccc(OC)c(F)c1 |r| Show InChI InChI=1S/C24H27FN4O3/c1-3-19(15-5-7-22(31-2)18(25)12-15)29-24(30)20-6-4-16-14-26-23(13-21(16)28-20)27-17-8-10-32-11-9-17/h4-7,12-14,17,19H,3,8-11H2,1-2H3,(H,26,27)(H,29,30)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.96	n/a	n/a	n/a	n/a	n/a	37
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description HepG2 cells were obtained from ATCC and grown in DMEM supplemented with 10% fetal bovine serum. Cells were plated in 96-well plates at 35,000 cells/w...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (aa 8-360) (Homo sapiens (Human))	BDBM236878 (US9388171, I-6) Show SMILES CC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1ccc(OC)c(F)c1 |r| Show InChI InChI=1S/C24H27FN4O3/c1-3-19(15-5-7-22(31-2)18(25)12-15)29-24(30)20-6-4-16-14-26-23(13-21(16)28-20)27-17-8-10-32-11-9-17/h4-7,12-14,17,19H,3,8-11H2,1-2H3,(H,26,27)(H,29,30)/t19-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	7.3	n/a
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair