BDBM50209752 CHEMBL3885038

SMILES: CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Oc3ccccc3NC(=O)C=C)n2)cc1

InChI Key: InChIKey=FLMYJFDSFOGONQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50209752   

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))	BDBM50209752 (CHEMBL3885038) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Oc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C25H28N6O2/c1-4-23(32)28-21-7-5-6-8-22(21)33-24-18(2)17-26-25(29-24)27-19-9-11-20(12-10-19)31-15-13-30(3)14-16-31/h4-12,17H,1,13-16H2,2-3H3,(H,28,32)(H,26,27,29)	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	1.63E+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
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209752 (CHEMBL3885038) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Oc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C25H28N6O2/c1-4-23(32)28-21-7-5-6-8-22(21)33-24-18(2)17-26-25(29-24)27-19-9-11-20(12-10-19)31-15-13-30(3)14-16-31/h4-12,17H,1,13-16H2,2-3H3,(H,28,32)(H,26,27,29)	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	92	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
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209752 (CHEMBL3885038) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Oc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C25H28N6O2/c1-4-23(32)28-21-7-5-6-8-22(21)33-24-18(2)17-26-25(29-24)27-19-9-11-20(12-10-19)31-15-13-30(3)14-16-31/h4-12,17H,1,13-16H2,2-3H3,(H,28,32)(H,26,27,29)	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	92	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 1 (Homo sapiens (Human))	BDBM50209752 (CHEMBL3885038) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Oc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C25H28N6O2/c1-4-23(32)28-21-7-5-6-8-22(21)33-24-18(2)17-26-25(29-24)27-19-9-11-20(12-10-19)31-15-13-30(3)14-16-31/h4-12,17H,1,13-16H2,2-3H3,(H,28,32)(H,26,27,29)	PDB MMDB NCI pathway 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	9.23E+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 ERK2 expressed in Escherichia coli using Ser/Thr 03 as substrate after 1 hr by Z'-Lyte 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