BDBM50382660 CHEMBL2023556

SMILES: COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(OC(F)(F)F)c2)cc(OC)c1OC

InChI Key: InChIKey=LDRVTAIULYJYRP-SFHVURJKSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50382660   

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-like growth factor I receptor (Homo sapiens (Human))	BDBM50382660 (CHEMBL2023556) Show SMILES COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(OC(F)(F)F)c2)cc(OC)c1OC |r| Show InChI InChI=1S/C27H30F3N5O5/c1-37-21-13-19(14-22(38-2)24(21)39-3)33-26-31-10-9-23(34-26)35-11-5-7-18(16-35)25(36)32-15-17-6-4-8-20(12-17)40-27(28,29)30/h4,6,8-10,12-14,18H,5,7,11,15-16H2,1-3H3,(H,32,36)(H,31,33,34)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	116	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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50382660 (CHEMBL2023556) Show SMILES COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(OC(F)(F)F)c2)cc(OC)c1OC |r| Show InChI InChI=1S/C27H30F3N5O5/c1-37-21-13-19(14-22(38-2)24(21)39-3)33-26-31-10-9-23(34-26)35-11-5-7-18(16-35)25(36)32-15-17-6-4-8-20(12-17)40-27(28,29)30/h4,6,8-10,12-14,18H,5,7,11,15-16H2,1-3H3,(H,32,36)(H,31,33,34)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of ALK phosphorylation in human Karpas-299 cells after 1 hr				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				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50382660 (CHEMBL2023556) Show SMILES COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(OC(F)(F)F)c2)cc(OC)c1OC |r| Show InChI InChI=1S/C27H30F3N5O5/c1-37-21-13-19(14-22(38-2)24(21)39-3)33-26-31-10-9-23(34-26)35-11-5-7-18(16-35)25(36)32-15-17-6-4-8-20(12-17)40-27(28,29)30/h4,6,8-10,12-14,18H,5,7,11,15-16H2,1-3H3,(H,32,36)(H,31,33,34)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	16	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				3D Structure (crystal)