BindingDB PrimarySearch

BDBM120086 US8697715, 1::US9259470, 1

SMILES: OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1

InChI Key: InChIKey=PGGLRAWFUJMQBN-HXUWFJFHSA-N

Data: 1 KI 12 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 120086
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM120086 (US8697715, 1 \| US9259470, 1) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.600	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
Array BioPharma Inc Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM120086 (US8697715, 1 \| US9259470, 1) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	3.90	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
Array BioPharma Inc.; Genentech, Inc. US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM120086 (US8697715, 1 \| US9259470, 1) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 58: 1976-91 (2015) Article DOI: 10.1021/jm501921k BindingDB Entry DOI: 10.7270/Q2TM7CT7
Array BioPharma Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM120086 (US8697715, 1 \| US9259470, 1) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 58: 1976-91 (2015) Article DOI: 10.1021/jm501921k BindingDB Entry DOI: 10.7270/Q2TM7CT7
Array BioPharma Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM120086 (US8697715, 1 \| US9259470, 1) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 58: 1976-91 (2015) Article DOI: 10.1021/jm501921k BindingDB Entry DOI: 10.7270/Q2TM7CT7
Array BioPharma Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM120086 (US8697715, 1 \| US9259470, 1) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				J Med Chem 58: 1976-91 (2015) Article DOI: 10.1021/jm501921k BindingDB Entry DOI: 10.7270/Q2TM7CT7
Array BioPharma Inc Curated by ChEMBL					More data for this Ligand-Target Pair
MAP kinase ERK1 (Homo sapiens (Human))	BDBM120086 (US8697715, 1 \| US9259470, 1) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of ERK1 (unknown origin)				J Med Chem 59: 5650-60 (2016) Article DOI: 10.1021/acs.jmedchem.6b00389
Array BioPharma Inc Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 1A (Homo sapiens (Human))	BDBM120086 (US8697715, 1 \| US9259470, 1) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				J Med Chem 58: 1976-91 (2015) Article DOI: 10.1021/jm501921k BindingDB Entry DOI: 10.7270/Q2TM7CT7
Array BioPharma Inc Curated by ChEMBL					More data for this Ligand-Target Pair
MAP kinase ERK1 (Homo sapiens (Human))	BDBM120086 (US8697715, 1 \| US9259470, 1) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of ERK1 (unknown origin)				J Med Chem 59: 5650-60 (2016) Article DOI: 10.1021/acs.jmedchem.6b00389
Array BioPharma Inc Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM120086 (US8697715, 1 \| US9259470, 1) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin)				J Med Chem 59: 5650-60 (2016) Article DOI: 10.1021/acs.jmedchem.6b00389
Array BioPharma Inc Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM120086 (US8697715, 1 \| US9259470, 1) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin)				J Med Chem 59: 5650-60 (2016) Article DOI: 10.1021/acs.jmedchem.6b00389
Array BioPharma Inc Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM120086 (US8697715, 1 \| US9259470, 1) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	3.90	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
Array BioPharma, Inc.; Genentech, Inc. US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM120086 (US8697715, 1 \| US9259470, 1) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 58: 1976-91 (2015) Article DOI: 10.1021/jm501921k BindingDB Entry DOI: 10.7270/Q2TM7CT7
Array BioPharma Inc Curated by ChEMBL					More data for this Ligand-Target Pair