BDBM50209652 CHEMBL3884555

SMILES: CN1CCN(CC1)c1ccc(Nc2nccc(Oc3ccccc3NC(=O)C=C)n2)cc1

InChI Key: InChIKey=YMGOCZZVGKTJLG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50209652   

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 kinase kinase 7 (Homo sapiens (Human))	BDBM50209652 (CHEMBL3884555) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Oc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H26N6O2/c1-3-22(31)27-20-6-4-5-7-21(20)32-23-12-13-25-24(28-23)26-18-8-10-19(11-9-18)30-16-14-29(2)15-17-30/h3-13H,1,14-17H2,2H3,(H,27,31)(H,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209652 (CHEMBL3884555) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Oc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H26N6O2/c1-3-22(31)27-20-6-4-5-7-21(20)32-23-12-13-25-24(28-23)26-18-8-10-19(11-9-18)30-16-14-29(2)15-17-30/h3-13H,1,14-17H2,2H3,(H,27,31)(H,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50209652 (CHEMBL3884555) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Oc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H26N6O2/c1-3-22(31)27-20-6-4-5-7-21(20)32-23-12-13-25-24(28-23)26-18-8-10-19(11-9-18)30-16-14-29(2)15-17-30/h3-13H,1,14-17H2,2H3,(H,27,31)(H,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair