BDBM50362779 CHEMBL1940181::US9126931, 346

SMILES: Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1

InChI Key: InChIKey=GXWLTJGZFHXMSX-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 = 50362779   

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))	BDBM50362779 (CHEMBL1940181 | US9126931, 346) Show SMILES Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C29H32N4O2/c1-18-14-22-23(16-25(18)33-8-6-20(7-9-33)32-10-12-35-13-11-32)29(2,3)28-26(27(22)34)21-5-4-19(17-30)15-24(21)31-28/h4-5,14-16,20,31H,6-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.61	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...				US Patent US9126931 (2015) BindingDB Entry DOI: 10.7270/Q22J69N8
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50362779 (CHEMBL1940181 | US9126931, 346) Show SMILES Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C29H32N4O2/c1-18-14-22-23(16-25(18)33-8-6-20(7-9-33)32-10-12-35-13-11-32)29(2,3)28-26(27(22)34)21-5-4-19(17-30)15-24(21)31-28/h4-5,14-16,20,31H,6-13H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of MET using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP				Bioorg Med Chem 20: 1271-80 (2012) Article DOI: 10.1016/j.bmc.2011.12.021 BindingDB Entry DOI: 10.7270/Q23B60KW
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50362779 (CHEMBL1940181 | US9126931, 346) Show SMILES Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C29H32N4O2/c1-18-14-22-23(16-25(18)33-8-6-20(7-9-33)32-10-12-35-13-11-32)29(2,3)28-26(27(22)34)21-5-4-19(17-30)15-24(21)31-28/h4-5,14-16,20,31H,6-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of ALK using Bio-Gastrintide as substrate by TR-FRET assay in presence of 30 uM of ATP				Bioorg Med Chem 20: 1271-80 (2012) Article DOI: 10.1016/j.bmc.2011.12.021 BindingDB Entry DOI: 10.7270/Q23B60KW
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50362779 (CHEMBL1940181 | US9126931, 346) Show SMILES Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C29H32N4O2/c1-18-14-22-23(16-25(18)33-8-6-20(7-9-33)32-10-12-35-13-11-32)29(2,3)28-26(27(22)34)21-5-4-19(17-30)15-24(21)31-28/h4-5,14-16,20,31H,6-13H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of KDR using Bio-Gastrintide as substrate by TR-FRET assay in presence of 50 uM of ATP				Bioorg Med Chem 20: 1271-80 (2012) Article DOI: 10.1016/j.bmc.2011.12.021 BindingDB Entry DOI: 10.7270/Q23B60KW
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50362779 (CHEMBL1940181 | US9126931, 346) Show SMILES Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C29H32N4O2/c1-18-14-22-23(16-25(18)33-8-6-20(7-9-33)32-10-12-35-13-11-32)29(2,3)28-26(27(22)34)21-5-4-19(17-30)15-24(21)31-28/h4-5,14-16,20,31H,6-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of KIT using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP				Bioorg Med Chem 20: 1271-80 (2012) Article DOI: 10.1016/j.bmc.2011.12.021 BindingDB Entry DOI: 10.7270/Q23B60KW
					More data for this Ligand-Target Pair