BDBM50185289 CHEMBL3822982

SMILES: COc1ccccc1Nc1nc(Nc2ccc(cc2OC)P(C)(C)=O)ncc1Cl

InChI Key: InChIKey=IBXPUECEDDUZFG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50185289   

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))	BDBM50185289 (CHEMBL3822982) Show SMILES COc1ccccc1Nc1nc(Nc2ccc(cc2OC)P(C)(C)=O)ncc1Cl Show InChI InChI=1S/C20H22ClN4O3P/c1-27-17-8-6-5-7-15(17)23-19-14(21)12-22-20(25-19)24-16-10-9-13(29(3,4)26)11-18(16)28-2/h5-12H,1-4H3,(H2,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	55	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))	BDBM50185289 (CHEMBL3822982) Show SMILES COc1ccccc1Nc1nc(Nc2ccc(cc2OC)P(C)(C)=O)ncc1Cl Show InChI InChI=1S/C20H22ClN4O3P/c1-27-17-8-6-5-7-15(17)23-19-14(21)12-22-20(25-19)24-16-10-9-13(29(3,4)26)11-18(16)28-2/h5-12H,1-4H3,(H2,22,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.960	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 I receptor (Homo sapiens (Human))	BDBM50185289 (CHEMBL3822982) Show SMILES COc1ccccc1Nc1nc(Nc2ccc(cc2OC)P(C)(C)=O)ncc1Cl Show InChI InChI=1S/C20H22ClN4O3P/c1-27-17-8-6-5-7-15(17)23-19-14(21)12-22-20(25-19)24-16-10-9-13(29(3,4)26)11-18(16)28-2/h5-12H,1-4H3,(H2,22,23,24,25)	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	22	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