BDBM50099981 6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-thiophen-2-ylmethyl-phenylamino)-quinoline-3-carbonitrile::CHEMBL288081

SMILES: COc1cc2c(Nc3ccc(Cc4cccs4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N

InChI Key: InChIKey=QUVCRVSEGFQHRT-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 = 50099981   

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))	BDBM50099981 (6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-thioph...) Show SMILES COc1cc2c(Nc3ccc(Cc4cccs4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C29H30N4O3S/c1-34-27-17-25-26(18-28(27)36-12-3-9-33-10-13-35-14-11-33)31-20-22(19-30)29(25)32-23-7-5-21(6-8-23)16-24-4-2-15-37-24/h2,4-8,15,17-18,20H,3,9-14,16H2,1H3,(H,31,32)	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	20	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))	BDBM50099981 (6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-thioph...) Show SMILES COc1cc2c(Nc3ccc(Cc4cccs4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C29H30N4O3S/c1-34-27-17-25-26(18-28(27)36-12-3-9-33-10-13-35-14-11-33)31-20-22(19-30)29(25)32-23-7-5-21(6-8-23)16-24-4-2-15-37-24/h2,4-8,15,17-18,20H,3,9-14,16H2,1H3,(H,31,32)	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	4.40	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