BDBM50113516 CHEMBL3604650

SMILES: COCCc1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C

InChI Key: InChIKey=YZSXPTODDQNZFK-UHFFFAOYSA-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 = 50113516   

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))	BDBM50113516 (CHEMBL3604650) Show SMILES COCCc1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C Show InChI InChI=1S/C24H31ClN6O4S/c1-14(2)36(32,33)23-20(13-31(4)30-23)27-22-18(25)12-26-24(29-22)28-19-10-15(3)16(8-9-34-5)11-21(19)35-17-6-7-17/h10-14,17H,6-9H2,1-5H3,(H2,26,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay				Bioorg Med Chem Lett 25: 3738-43 (2015) BindingDB Entry DOI: 10.7270/Q208674B
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50113516 (CHEMBL3604650) Show SMILES COCCc1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C Show InChI InChI=1S/C24H31ClN6O4S/c1-14(2)36(32,33)23-20(13-31(4)30-23)27-22-18(25)12-26-24(29-22)28-19-10-15(3)16(8-9-34-5)11-21(19)35-17-6-7-17/h10-14,17H,6-9H2,1-5H3,(H2,26,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Pearl Biotech Ltd Curated by ChEMBL					Assay Description Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay				Bioorg Med Chem Lett 25: 3738-43 (2015) BindingDB Entry DOI: 10.7270/Q208674B
					More data for this Ligand-Target Pair