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SMILES: COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCOCC1

InChI Key: InChIKey=XIQAFZIFYBEQQW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50185281   

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))	BDBM50185281 (CHEMBL3823416) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCOCC1 Show InChI InChI=1S/C23H27ClN5O3P/c1-31-20-14-16(29-10-12-32-13-11-29)8-9-18(20)27-23-25-15-17(24)22(28-23)26-19-6-4-5-7-21(19)33(2,3)30/h4-9,14-15H,10-13H2,1-3H3,(H2,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	399	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human InsR using myelin basic protein as substrate and [gamma-33P]ATP measured after 1 hr				J Med Chem 59: 4948-64 (2016) BindingDB Entry DOI: 10.7270/Q2NK3H0Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50185281 (CHEMBL3823416) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCOCC1 Show InChI InChI=1S/C23H27ClN5O3P/c1-31-20-14-16(29-10-12-32-13-11-29)8-9-18(20)27-23-25-15-17(24)22(28-23)26-19-6-4-5-7-21(19)33(2,3)30/h4-9,14-15H,10-13H2,1-3H3,(H2,25,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr				J Med Chem 59: 4948-64 (2016) BindingDB Entry DOI: 10.7270/Q2NK3H0Q
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50185281 (CHEMBL3823416) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCOCC1 Show InChI InChI=1S/C23H27ClN5O3P/c1-31-20-14-16(29-10-12-32-13-11-29)8-9-18(20)27-23-25-15-17(24)22(28-23)26-19-6-4-5-7-21(19)33(2,3)30/h4-9,14-15H,10-13H2,1-3H3,(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human IGF1R using KKKSPGEYVNIEFG as substrate and [gamma-33P]ATP measured after 1 hr				J Med Chem 59: 4948-64 (2016) BindingDB Entry DOI: 10.7270/Q2NK3H0Q
					More data for this Ligand-Target Pair