BDBM120092 US8697715, 14::US9259470, 14

SMILES: OCC(c1ccc(Cl)c(F)c1)n1ccc(nc1=O)-c1ccnc(NC2CCOCC2)n1

InChI Key: InChIKey=VNDPDOBDSCDEBX-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 120092   

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))	BDBM120092 (US8697715, 14 | US9259470, 14) Show SMILES OCC(c1ccc(Cl)c(F)c1)n1ccc(nc1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C21H21ClFN5O3/c22-15-2-1-13(11-16(15)23)19(12-29)28-8-4-18(27-21(28)30)17-3-7-24-20(26-17)25-14-5-9-31-10-6-14/h1-4,7-8,11,14,19,29H,5-6,9-10,12H2,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay				J Med Chem 58: 1976-91 (2015) Article DOI: 10.1021/jm501921k BindingDB Entry DOI: 10.7270/Q2TM7CT7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM120092 (US8697715, 14 | US9259470, 14) Show SMILES OCC(c1ccc(Cl)c(F)c1)n1ccc(nc1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C21H21ClFN5O3/c22-15-2-1-13(11-16(15)23)19(12-29)28-8-4-18(27-21(28)30)17-3-7-24-20(26-17)25-14-5-9-31-10-6-14/h1-4,7-8,11,14,19,29H,5-6,9-10,12H2,(H,24,25,26)	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	15.6	n/a	n/a	n/a	n/a	7.3	n/a
Array BioPharma, Inc.; Genentech, 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 US8697715 (2014) BindingDB Entry DOI: 10.7270/Q2NV9GXF
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM120092 (US8697715, 14 | US9259470, 14) Show SMILES OCC(c1ccc(Cl)c(F)c1)n1ccc(nc1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C21H21ClFN5O3/c22-15-2-1-13(11-16(15)23)19(12-29)28-8-4-18(27-21(28)30)17-3-7-24-20(26-17)25-14-5-9-31-10-6-14/h1-4,7-8,11,14,19,29H,5-6,9-10,12H2,(H,24,25,26)	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	15.6	n/a	n/a	n/a	n/a	7.3	n/a
Array BioPharma Inc.; Genentech, 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 US9259470 (2016) BindingDB Entry DOI: 10.7270/Q28S4NSQ
					More data for this Ligand-Target Pair