BDBM50382653 CHEMBL2023996

SMILES: COC(=O)c1cccc(CNC(=O)[C@H]2CCCN(C2)c2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)c1

InChI Key: InChIKey=VTMFEXPPESJPGR-FQEVSTJZSA-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 = 50382653   

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))	BDBM50382653 (CHEMBL2023996) Show SMILES COC(=O)c1cccc(CNC(=O)[C@H]2CCCN(C2)c2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)c1 |r| Show InChI InChI=1S/C28H33N5O6/c1-36-22-14-21(15-23(37-2)25(22)38-3)31-28-29-11-10-24(32-28)33-12-6-9-20(17-33)26(34)30-16-18-7-5-8-19(13-18)27(35)39-4/h5,7-8,10-11,13-15,20H,6,9,12,16-17H2,1-4H3,(H,30,34)(H,29,31,32)/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	60	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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50382653 (CHEMBL2023996) Show SMILES COC(=O)c1cccc(CNC(=O)[C@H]2CCCN(C2)c2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)c1 |r| Show InChI InChI=1S/C28H33N5O6/c1-36-22-14-21(15-23(37-2)25(22)38-3)31-28-29-11-10-24(32-28)33-12-6-9-20(17-33)26(34)30-16-18-7-5-8-19(13-18)27(35)39-4/h5,7-8,10-11,13-15,20H,6,9,12,16-17H2,1-4H3,(H,30,34)(H,29,31,32)/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	61	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
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM50382653 (CHEMBL2023996) Show SMILES COC(=O)c1cccc(CNC(=O)[C@H]2CCCN(C2)c2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)c1 |r| Show InChI InChI=1S/C28H33N5O6/c1-36-22-14-21(15-23(37-2)25(22)38-3)31-28-29-11-10-24(32-28)33-12-6-9-20(17-33)26(34)30-16-18-7-5-8-19(13-18)27(35)39-4/h5,7-8,10-11,13-15,20H,6,9,12,16-17H2,1-4H3,(H,30,34)(H,29,31,32)/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	8.89E+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 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