BDBM50209761 CHEMBL3885007

SMILES: COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2OC(=O)C=C)n1)N1CCN(C)CC1

InChI Key: InChIKey=LIFYGXMZGUSLFZ-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50209761   

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))	BDBM50209761 (CHEMBL3885007) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2OC(=O)C=C)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)35-21-8-6-5-7-19(21)28-24-18(26)16-27-25(30-24)29-20-10-9-17(15-22(20)34-3)32-13-11-31(2)12-14-32/h4-10,15-16H,1,11-14H2,2-3H3,(H2,27,28,29,30)	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	342	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