BDBM50439154 CHEMBL2418761

SMILES: Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cc(F)ccc4F)c3)c2c1

InChI Key: InChIKey=SDWMCZUOCJDBOJ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50439154   

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))	BDBM50439154 (CHEMBL2418761) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cc(F)ccc4F)c3)c2c1 Show InChI InChI=1S/C21H16F2N6/c1-28-10-15(7-26-28)13-5-18-19(9-25-21(18)24-6-13)16-8-27-29(12-16)11-14-4-17(22)2-3-20(14)23/h2-10,12H,11H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Ltd Curated by ChEMBL					Assay Description Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated Stat3 level after 6 hrs by Western blotting analysis				Bioorg Med Chem Lett 23: 4911-8 (2013) Article DOI: 10.1016/j.bmcl.2013.06.071 BindingDB Entry DOI: 10.7270/Q2BK1DS7
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50439154 (CHEMBL2418761) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cc(F)ccc4F)c3)c2c1 Show InChI InChI=1S/C21H16F2N6/c1-28-10-15(7-26-28)13-5-18-19(9-25-21(18)24-6-13)16-8-27-29(12-16)11-14-4-17(22)2-3-20(14)23/h2-10,12H,11H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	29	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))	BDBM50439154 (CHEMBL2418761) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cc(F)ccc4F)c3)c2c1 Show InChI InChI=1S/C21H16F2N6/c1-28-10-15(7-26-28)13-5-18-19(9-25-21(18)24-6-13)16-8-27-29(12-16)11-14-4-17(22)2-3-20(14)23/h2-10,12H,11H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Ltd Curated by ChEMBL					Assay Description Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 4911-8 (2013) Article DOI: 10.1016/j.bmcl.2013.06.071 BindingDB Entry DOI: 10.7270/Q2BK1DS7
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50439154 (CHEMBL2418761) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cc(F)ccc4F)c3)c2c1 Show InChI InChI=1S/C21H16F2N6/c1-28-10-15(7-26-28)13-5-18-19(9-25-21(18)24-6-13)16-8-27-29(12-16)11-14-4-17(22)2-3-20(14)23/h2-10,12H,11H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Ltd Curated by ChEMBL					Assay Description Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated ALK level after 6 hrs by Western blotting analysis				Bioorg Med Chem Lett 23: 4911-8 (2013) Article DOI: 10.1016/j.bmcl.2013.06.071 BindingDB Entry DOI: 10.7270/Q2BK1DS7
					More data for this Ligand-Target Pair				3D Structure (crystal)