BDBM50099979 6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-pyridin-2-ylmethyl-phenylamino)-quinoline-3-carbonitrile::CHEMBL281662

SMILES: COc1cc2c(Nc3ccc(Cc4ccccn4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N

InChI Key: InChIKey=HXESXTKTHOPRIA-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50099979   

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/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50099979 (6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-pyridi...) Show SMILES COc1cc2c(Nc3ccc(Cc4ccccn4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H31N5O3/c1-36-28-18-26-27(19-29(28)38-14-4-11-35-12-15-37-16-13-35)33-21-23(20-31)30(26)34-24-8-6-22(7-9-24)17-25-5-2-3-10-32-25/h2-3,5-10,18-19,21H,4,11-17H2,1H3,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	18	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
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50099979 (6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-pyridi...) Show SMILES COc1cc2c(Nc3ccc(Cc4ccccn4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H31N5O3/c1-36-28-18-26-27(19-29(28)38-14-4-11-35-12-15-37-16-13-35)33-21-23(20-31)30(26)34-24-8-6-22(7-9-24)17-25-5-2-3-10-32-25/h2-3,5-10,18-19,21H,4,11-17H2,1H3,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	72	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