BDBM50529029 CHEMBL4537507

SMILES: C[C@@H](Oc1cc(cnc1N)-c1ccn(Cc2ccccc2)c(=O)c1)c1c(Cl)ccc(F)c1Cl

InChI Key: InChIKey=APPXGMLAUWCONV-OAHLLOKOSA-N

Data: 2 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 2 hits for monomerid = 50529029   

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))	BDBM50529029 (CHEMBL4537507) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1ccn(Cc2ccccc2)c(=O)c1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C25H20Cl2FN3O2/c1-15(23-19(26)7-8-20(28)24(23)27)33-21-11-18(13-30-25(21)29)17-9-10-31(22(32)12-17)14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H2,29,30)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) expressed in baculovirus expression system using Srctide as substra...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111734
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50529029 (CHEMBL4537507) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1ccn(Cc2ccccc2)c(=O)c1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C25H20Cl2FN3O2/c1-15(23-19(26)7-8-20(28)24(23)27)33-21-11-18(13-30-25(21)29)17-9-10-31(22(32)12-17)14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H2,29,30)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	393	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ALK L1196M mutant (1058 to 1620 residues) expressed in baculovirus expression system using Srct...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111734
					More data for this Ligand-Target Pair