BDBM291994 US10100019, Example 64

SMILES: CNC(C)(C)c1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C

InChI Key: InChIKey=HXFVZOYBPSIUHZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 291994   

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))	BDBM291994 (US10100019, Example 64) Show SMILES CNC(C)(C)c1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C Show InChI InChI=1S/C25H32ClN5O3S/c1-15(2)35(32,33)22-11-9-8-10-19(22)29-23-18(26)14-28-24(31-23)30-20-12-16(3)17(13-21(20)34-7)25(4,5)27-6/h8-15,27H,1-7H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	25
Korea Research Institute of Chemical Technology US Patent					Assay Description The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...				US Patent US10100019 (2018) BindingDB Entry DOI: 10.7270/Q2125VPT
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM291994 (US10100019, Example 64) Show SMILES CNC(C)(C)c1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C Show InChI InChI=1S/C25H32ClN5O3S/c1-15(2)35(32,33)22-11-9-8-10-19(22)29-23-18(26)14-28-24(31-23)30-20-12-16(3)17(13-21(20)34-7)25(4,5)27-6/h8-15,27H,1-7H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.20	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) using peptide as substrate measured after 30 mins by fluorescence assay				Eur J Med Chem 126: 536-549 (2017) BindingDB Entry DOI: 10.7270/Q2ZW1P4Q
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM291994 (US10100019, Example 64) Show SMILES CNC(C)(C)c1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C Show InChI InChI=1S/C25H32ClN5O3S/c1-15(2)35(32,33)22-11-9-8-10-19(22)29-23-18(26)14-28-24(31-23)30-20-12-16(3)17(13-21(20)34-7)25(4,5)27-6/h8-15,27H,1-7H3,(H2,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology US Patent					Assay Description To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...				US Patent US10100019 (2018) BindingDB Entry DOI: 10.7270/Q2125VPT
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M) (Homo sapiens (Human))	BDBM291994 (US10100019, Example 64) Show SMILES CNC(C)(C)c1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C Show InChI InChI=1S/C25H32ClN5O3S/c1-15(2)35(32,33)22-11-9-8-10-19(22)29-23-18(26)14-28-24(31-23)30-20-12-16(3)17(13-21(20)34-7)25(4,5)27-6/h8-15,27H,1-7H3,(H2,28,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology US Patent					Assay Description To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...				US Patent US10100019 (2018) BindingDB Entry DOI: 10.7270/Q2125VPT
					More data for this Ligand-Target Pair