BDBM50265940 CHEMBL4070818

SMILES: CN1CCc2[nH]c(cc2C1=O)-c1ccnc(NC2CCOCC2)n1

InChI Key: InChIKey=NIYBPQCBDYLRGQ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50265940   

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))	BDBM50265940 (CHEMBL4070818) Show SMILES CN1CCc2[nH]c(cc2C1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C17H21N5O2/c1-22-7-3-13-12(16(22)23)10-15(20-13)14-2-6-18-17(21-14)19-11-4-8-24-9-5-11/h2,6,10-11,20H,3-5,7-9H2,1H3,(H,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265940 (CHEMBL4070818) Show SMILES CN1CCc2[nH]c(cc2C1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C17H21N5O2/c1-22-7-3-13-12(16(22)23)10-15(20-13)14-2-6-18-17(21-14)19-11-4-8-24-9-5-11/h2,6,10-11,20H,3-5,7-9H2,1H3,(H,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265940 (CHEMBL4070818) Show SMILES CN1CCc2[nH]c(cc2C1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C17H21N5O2/c1-22-7-3-13-12(16(22)23)10-15(20-13)14-2-6-18-17(21-14)19-11-4-8-24-9-5-11/h2,6,10-11,20H,3-5,7-9H2,1H3,(H,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 in human A375 cells harboring BRAF V600E mutant assessed as decrease in phosphorylated ERK2 levels				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265940 (CHEMBL4070818) Show SMILES CN1CCc2[nH]c(cc2C1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C17H21N5O2/c1-22-7-3-13-12(16(22)23)10-15(20-13)14-2-6-18-17(21-14)19-11-4-8-24-9-5-11/h2,6,10-11,20H,3-5,7-9H2,1H3,(H,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ERK2 in human A375 cells harboring BRAF V600E mutant assessed as decrease in phosphorylated RSK levels				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50265940 (CHEMBL4070818) Show SMILES CN1CCc2[nH]c(cc2C1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C17H21N5O2/c1-22-7-3-13-12(16(22)23)10-15(20-13)14-2-6-18-17(21-14)19-11-4-8-24-9-5-11/h2,6,10-11,20H,3-5,7-9H2,1H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin)				J Med Chem 60: 3438-3450 (2017) Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J
					More data for this Ligand-Target Pair