null

SMILES: OC[C@@H](N1CCc2[nH]c(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1ccccc1

InChI Key: InChIKey=HRSNHMRHSYFCLY-JOCHJYFZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50265939   

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))	BDBM50265939 (CHEMBL4078489) Show SMILES OC[C@@H](N1CCc2[nH]c(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1ccccc1 |r| Show InChI InChI=1S/C24H27N5O3/c30-15-22(16-4-2-1-3-5-16)29-11-7-19-18(23(29)31)14-21(27-19)20-6-10-25-24(28-20)26-17-8-12-32-13-9-17/h1-6,10,14,17,22,27,30H,7-9,11-13,15H2,(H,25,26,28)/t22-/m1/s1	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	<0.340	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))	BDBM50265939 (CHEMBL4078489) Show SMILES OC[C@@H](N1CCc2[nH]c(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1ccccc1 |r| Show InChI InChI=1S/C24H27N5O3/c30-15-22(16-4-2-1-3-5-16)29-11-7-19-18(23(29)31)14-21(27-19)20-6-10-25-24(28-20)26-17-8-12-32-13-9-17/h1-6,10,14,17,22,27,30H,7-9,11-13,15H2,(H,25,26,28)/t22-/m1/s1	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	0.430	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))	BDBM50265939 (CHEMBL4078489) Show SMILES OC[C@@H](N1CCc2[nH]c(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1ccccc1 |r| Show InChI InChI=1S/C24H27N5O3/c30-15-22(16-4-2-1-3-5-16)29-11-7-19-18(23(29)31)14-21(27-19)20-6-10-25-24(28-20)26-17-8-12-32-13-9-17/h1-6,10,14,17,22,27,30H,7-9,11-13,15H2,(H,25,26,28)/t22-/m1/s1	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	100	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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50265939 (CHEMBL4078489) Show SMILES OC[C@@H](N1CCc2[nH]c(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1ccccc1 |r| Show InChI InChI=1S/C24H27N5O3/c30-15-22(16-4-2-1-3-5-16)29-11-7-19-18(23(29)31)14-21(27-19)20-6-10-25-24(28-20)26-17-8-12-32-13-9-17/h1-6,10,14,17,22,27,30H,7-9,11-13,15H2,(H,25,26,28)/t22-/m1/s1	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	3.50E+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 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
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50265939 (CHEMBL4078489) Show SMILES OC[C@@H](N1CCc2[nH]c(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1ccccc1 |r| Show InChI InChI=1S/C24H27N5O3/c30-15-22(16-4-2-1-3-5-16)29-11-7-19-18(23(29)31)14-21(27-19)20-6-10-25-24(28-20)26-17-8-12-32-13-9-17/h1-6,10,14,17,22,27,30H,7-9,11-13,15H2,(H,25,26,28)/t22-/m1/s1	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