BDBM50187113 CHEMBL3824153

SMILES: COCCN1CCN(Cc2ccc(cc2)-c2cc(NC(N)=O)c(s2)C(N)=O)CC1

InChI Key: InChIKey=CDSAOMDHMMOYIH-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50187113   

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))	BDBM50187113 (CHEMBL3824153) Show SMILES COCCN1CCN(Cc2ccc(cc2)-c2cc(NC(N)=O)c(s2)C(N)=O)CC1 Show InChI InChI=1S/C20H27N5O3S/c1-28-11-10-24-6-8-25(9-7-24)13-14-2-4-15(5-3-14)17-12-16(23-20(22)27)18(29-17)19(21)26/h2-5,12H,6-11,13H2,1H3,(H2,21,26)(H3,22,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co,. Ltd Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin)				Bioorg Med Chem 24: 4206-4217 (2016) BindingDB Entry DOI: 10.7270/Q2JM2CKQ
					More data for this Ligand-Target Pair