null

SMILES: COc1cc2c(Nc3ccc(Cc4cccnc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N

InChI Key: InChIKey=KFOLNPBBIZYUEJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50099976   

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
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50099976 (6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-pyridi...) Show SMILES COc1cc2c(Nc3ccc(Cc4cccnc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H31N5O3/c1-36-28-17-26-27(18-29(28)38-13-3-10-35-11-14-37-15-12-35)33-21-24(19-31)30(26)34-25-7-5-22(6-8-25)16-23-4-2-9-32-20-23/h2,4-9,17-18,20-21H,3,10-16H2,1H3,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an...				Bioorg Med Chem Lett 11: 1407-10 (2001) BindingDB Entry DOI: 10.7270/Q2RB73WF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50099976 (6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-pyridi...) Show SMILES COc1cc2c(Nc3ccc(Cc4cccnc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H31N5O3/c1-36-28-17-26-27(18-29(28)38-13-3-10-35-11-14-37-15-12-35)33-21-24(19-31)30(26)34-25-7-5-22(6-8-25)16-23-4-2-9-32-20-23/h2,4-9,17-18,20-21H,3,10-16H2,1H3,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...				Bioorg Med Chem Lett 11: 1407-10 (2001) BindingDB Entry DOI: 10.7270/Q2RB73WF
					More data for this Ligand-Target Pair