BDBM50235176 CHEMBL4095421

SMILES: CN1CCN(CC1)c1cccc2cc(NC(=O)Nc3ccc(Oc4ccnc5[nH]ccc45)cc3)ccc12

InChI Key: InChIKey=WQRGBJPKMNUGRL-UHFFFAOYSA-N

Data: 1 Kd

PDB links: 1 PDB ID matches this monomer.

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 = 50235176   

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))	BDBM50235176 (CHEMBL4095421) Show SMILES CN1CCN(CC1)c1cccc2cc(NC(=O)Nc3ccc(Oc4ccnc5[nH]ccc45)cc3)ccc12 Show InChI InChI=1S/C29H28N6O2/c1-34-15-17-35(18-16-34)26-4-2-3-20-19-22(7-10-24(20)26)33-29(36)32-21-5-8-23(9-6-21)37-27-12-14-31-28-25(27)11-13-30-28/h2-14,19H,15-18H2,1H3,(H,30,31)(H2,32,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to recombinant human biotinylated N-terminal GST-tagged autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 resi...				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair				3D Structure (crystal)