BDBM50382639 CHEMBL2023541

SMILES: COc1ccc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(C)cc2)cc1

InChI Key: InChIKey=IDEUSVQRLWLHPE-FQEVSTJZSA-N

Data: 2 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 2 hits for monomerid = 50382639   

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))	BDBM50382639 (CHEMBL2023541) Show SMILES COc1ccc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(C)cc2)cc1 |r| Show InChI InChI=1S/C25H29N5O2/c1-18-5-7-19(8-6-18)16-27-24(31)20-4-3-15-30(17-20)23-13-14-26-25(29-23)28-21-9-11-22(32-2)12-10-21/h5-14,20H,3-4,15-17H2,1-2H3,(H,27,31)(H,26,28,29)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused ALK cytoplasmic domain (1058 to 1620) expressed in SF9 cells using Biotin-Ahx- EQEDEPEGIYGVLF-OH as substrat...				J Med Chem 55: 1698-705 (2012) Article DOI: 10.1021/jm201565s BindingDB Entry DOI: 10.7270/Q20P111R
					More data for this Ligand-Target Pair
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM50382639 (CHEMBL2023541) Show SMILES COc1ccc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(C)cc2)cc1 |r| Show InChI InChI=1S/C25H29N5O2/c1-18-5-7-19(8-6-18)16-27-24(31)20-4-3-15-30(17-20)23-13-14-26-25(29-23)28-21-9-11-22(32-2)12-10-21/h5-14,20H,3-4,15-17H2,1-2H3,(H,27,31)(H,26,28,29)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused IGF1R cytoplasmic domain (960 to 1367) expressed in Hi5 cells using Biotin- Ahx- EEEEAYGWLDF-OH as substrate...				J Med Chem 55: 1698-705 (2012) Article DOI: 10.1021/jm201565s BindingDB Entry DOI: 10.7270/Q20P111R
					More data for this Ligand-Target Pair