BDBM50116681 CHEMBL3608524::US10053458, 65

SMILES: COc1cc2CCNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

InChI Key: InChIKey=IXPKKOYDMRELAG-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50116681   

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
Insulin receptor (Homo sapiens (Human))	BDBM50116681 (CHEMBL3608524 | US10053458, 65) Show SMILES COc1cc2CCNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)22-7-5-4-6-19(22)28-23-18(25)14-27-24(30-23)29-20-12-16-8-10-26-11-9-17(16)13-21(20)33-3/h4-7,12-15,26H,8-11H2,1-3H3,(H2,27,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of insulin receptor (unknown origin) by homogeneous time resolved fluorescence assay				Bioorg Med Chem Lett 25: 3992-8 (2015) BindingDB Entry DOI: 10.7270/Q2RF5WTB
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50116681 (CHEMBL3608524 | US10053458, 65) Show SMILES COc1cc2CCNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)22-7-5-4-6-19(22)28-23-18(25)14-27-24(30-23)29-20-12-16-8-10-26-11-9-17(16)13-21(20)33-3/h4-7,12-15,26H,8-11H2,1-3H3,(H2,27,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay				Bioorg Med Chem Lett 25: 3992-8 (2015) BindingDB Entry DOI: 10.7270/Q2RF5WTB
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M) (Homo sapiens (Human))	BDBM50116681 (CHEMBL3608524 | US10053458, 65) Show SMILES COc1cc2CCNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)22-7-5-4-6-19(22)28-23-18(25)14-27-24(30-23)29-20-12-16-8-10-26-11-9-17(16)13-21(20)33-3/h4-7,12-15,26H,8-11H2,1-3H3,(H2,27,28,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY US Patent									US Patent US10053458 (2018) BindingDB Entry DOI: 10.7270/Q2ZS2ZH9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50116681 (CHEMBL3608524 | US10053458, 65) Show SMILES COc1cc2CCNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)22-7-5-4-6-19(22)28-23-18(25)14-27-24(30-23)29-20-12-16-8-10-26-11-9-17(16)13-21(20)33-3/h4-7,12-15,26H,8-11H2,1-3H3,(H2,27,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	25
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY US Patent					Assay Description A proliferation inhibitory activity against the ALK of the compound represented by Chemical Formula 1 according to the present invention at an enzyme...				US Patent US10053458 (2018) BindingDB Entry DOI: 10.7270/Q2ZS2ZH9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50116681 (CHEMBL3608524 | US10053458, 65) Show SMILES COc1cc2CCNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)22-7-5-4-6-19(22)28-23-18(25)14-27-24(30-23)29-20-12-16-8-10-26-11-9-17(16)13-21(20)33-3/h4-7,12-15,26H,8-11H2,1-3H3,(H2,27,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay				Bioorg Med Chem Lett 25: 3992-8 (2015) BindingDB Entry DOI: 10.7270/Q2RF5WTB
					More data for this Ligand-Target Pair