BDBM236889 US9388171, II-46

SMILES: CC[C@@H](NC(=O)c1ccc2cnc(Nc3cc(C)nn3C)cc2c1)c1ccc(Cl)c(F)c1

InChI Key: InChIKey=KMVDGCBYEJXIME-OAQYLSRUSA-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 = 236889   

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))	BDBM236889 (US9388171, II-46) Show SMILES CC[C@@H](NC(=O)c1ccc2cnc(Nc3cc(C)nn3C)cc2c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C24H23ClFN5O/c1-4-21(15-7-8-19(25)20(26)11-15)28-24(32)16-5-6-17-13-27-22(12-18(17)10-16)29-23-9-14(2)30-31(23)3/h5-13,21H,4H2,1-3H3,(H,27,29)(H,28,32)/t21-/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	15.7	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))	BDBM236889 (US9388171, II-46) Show SMILES CC[C@@H](NC(=O)c1ccc2cnc(Nc3cc(C)nn3C)cc2c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C24H23ClFN5O/c1-4-21(15-7-8-19(25)20(26)11-15)28-24(32)16-5-6-17-13-27-22(12-18(17)10-16)29-23-9-14(2)30-31(23)3/h5-13,21H,4H2,1-3H3,(H,27,29)(H,28,32)/t21-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	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