BDBM50209756 CHEMBL3884215

SMILES: CN1CCN(CC1)c1ccc(Nc2nc(N)c(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cc1

InChI Key: InChIKey=LXCNVUDAAJHHLA-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 = 50209756   

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))	BDBM50209756 (CHEMBL3884215) Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(N)c(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H26ClN7O2/c1-3-20(33)28-18-6-4-5-7-19(18)34-23-21(25)22(26)29-24(30-23)27-16-8-10-17(11-9-16)32-14-12-31(2)13-15-32/h3-11H,1,12-15H2,2H3,(H,28,33)(H3,26,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.75E+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 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))	BDBM50209756 (CHEMBL3884215) Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(N)c(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H26ClN7O2/c1-3-20(33)28-18-6-4-5-7-19(18)34-23-21(25)22(26)29-24(30-23)27-16-8-10-17(11-9-16)32-14-12-31(2)13-15-32/h3-11H,1,12-15H2,2H3,(H,28,33)(H3,26,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.75E+3	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))	BDBM50209756 (CHEMBL3884215) Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(N)c(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H26ClN7O2/c1-3-20(33)28-18-6-4-5-7-19(18)34-23-21(25)22(26)29-24(30-23)27-16-8-10-17(11-9-16)32-14-12-31(2)13-15-32/h3-11H,1,12-15H2,2H3,(H,28,33)(H3,26,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
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