BDBM236881 US9388171, I-21

SMILES: COc1ccc(cc1F)[C@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1cnn(C)c1

InChI Key: InChIKey=JAUXVEYDNKFQJQ-VWLOTQADSA-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 = 236881   

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))	BDBM236881 (US9388171, I-21) Show SMILES COc1ccc(cc1F)[C@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1cnn(C)c1 |r| Show InChI InChI=1S/C26H27FN6O3/c1-33-15-18(14-29-33)25(16-4-6-23(35-2)20(27)11-16)32-26(34)21-5-3-17-13-28-24(12-22(17)31-21)30-19-7-9-36-10-8-19/h3-6,11-15,19,25H,7-10H2,1-2H3,(H,28,30)(H,32,34)/t25-/m0/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	18.7	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 [8-360] (Homo sapiens (Human))	BDBM236881 (US9388171, I-21) Show SMILES COc1ccc(cc1F)[C@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1cnn(C)c1 |r| Show InChI InChI=1S/C26H27FN6O3/c1-33-15-18(14-29-33)25(16-4-6-23(35-2)20(27)11-16)32-26(34)21-5-3-17-13-28-24(12-22(17)31-21)30-19-7-9-36-10-8-19/h3-6,11-15,19,25H,7-10H2,1-2H3,(H,28,30)(H,32,34)/t25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.86	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