BDBM50187714 CHEMBL3736388

SMILES: CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1C1=CCN(CC1)C(=O)C1CCOCC1

InChI Key: InChIKey=BTNPTMBSLGUHRO-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 = 50187714   

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))	BDBM50187714 (CHEMBL3736388) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1C1=CCN(CC1)C(=O)C1CCOCC1 |t:28| Show InChI InChI=1S/C32H33N3O3/c1-4-20-16-25-26(17-24(20)21-7-11-35(12-8-21)31(37)22-9-13-38-14-10-22)32(2,3)30-28(29(25)36)23-6-5-19(18-33)15-27(23)34-30/h5-7,15-17,22,34H,4,8-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ALK expressed in human NCI-H3122 cells assessed as cell growth inhibition after 72 hrs by SRB/CCK-8 assay				Eur J Med Chem 118: 244-9 (2016) BindingDB Entry DOI: 10.7270/Q2Q81G02
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50187714 (CHEMBL3736388) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1C1=CCN(CC1)C(=O)C1CCOCC1 |t:28| Show InChI InChI=1S/C32H33N3O3/c1-4-20-16-25-26(17-24(20)21-7-11-35(12-8-21)31(37)22-9-13-38-14-10-22)32(2,3)30-28(29(25)36)23-6-5-19(18-33)15-27(23)34-30/h5-7,15-17,22,34H,4,8-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of gatekeeper ALK L1196M mutant (unknown origin) using poly (Glu, Tyr)4:1 substrate incubated for 60 mins by ELISA				Eur J Med Chem 105: 39-56 (2015) Article DOI: 10.1016/j.ejmech.2015.10.005 BindingDB Entry DOI: 10.7270/Q2BV7KM3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50187714 (CHEMBL3736388) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1C1=CCN(CC1)C(=O)C1CCOCC1 |t:28| Show InChI InChI=1S/C32H33N3O3/c1-4-20-16-25-26(17-24(20)21-7-11-35(12-8-21)31(37)22-9-13-38-14-10-22)32(2,3)30-28(29(25)36)23-6-5-19(18-33)15-27(23)34-30/h5-7,15-17,22,34H,4,8-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) using poly (Glu, Tyr)4:1 substrate incubated for 60 mins by ELISA				Eur J Med Chem 105: 39-56 (2015) Article DOI: 10.1016/j.ejmech.2015.10.005 BindingDB Entry DOI: 10.7270/Q2BV7KM3
					More data for this Ligand-Target Pair