BDBM50173123 CHEMBL3810133

SMILES: CC(C)c1cc(NC(=O)Nc2ccc(cc2C)-c2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)[nH]n2)no1

InChI Key: InChIKey=DGTHZVANBQORTH-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50173123   

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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50173123 (CHEMBL3810133) Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(cc2C)-c2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)[nH]n2)no1 Show InChI InChI=1S/C30H36N8O3/c1-19(2)26-17-28(36-41-26)33-30(40)31-24-10-9-23(15-20(24)3)25-16-27(35-34-25)32-29(39)22-7-5-21(6-8-22)18-38-13-11-37(4)12-14-38/h5-10,15-17,19H,11-14,18H2,1-4H3,(H2,31,33,36,40)(H2,32,34,35,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	402	n/a	n/a	n/a	n/a	n/a	n/a
Boston University Curated by ChEMBL					Assay Description Inhibition of ALK (unknown origin)				J Med Chem 62: 10005-10025 (2019) Article DOI: 10.1021/acs.jmedchem.8b01732
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50173123 (CHEMBL3810133) Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(cc2C)-c2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)[nH]n2)no1 Show InChI InChI=1S/C30H36N8O3/c1-19(2)26-17-28(36-41-26)33-30(40)31-24-10-9-23(15-20(24)3)25-16-27(35-34-25)32-29(39)22-7-5-21(6-8-22)18-38-13-11-37(4)12-14-38/h5-10,15-17,19H,11-14,18H2,1-4H3,(H2,31,33,36,40)(H2,32,34,35,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	402	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human ALK (1084 to 1410 residues) expressed in baculovirus infected Sf21 insect cells using polyGlu4:Tyr peptide as substrate after 1 h...				J Med Chem 59: 3906-19 (2016) BindingDB Entry DOI: 10.7270/Q2Z03B2G
					More data for this Ligand-Target Pair				3D Structure (crystal)