BDBM50187715 CHEMBL3735386

SMILES: CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1C1=CCN(CC2CCOCC2)CC1

InChI Key: InChIKey=HVVDUMVMNROVAL-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 = 50187715   

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))	BDBM50187715 (CHEMBL3735386) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1C1=CCN(CC2CCOCC2)CC1 |t:28| Show InChI InChI=1S/C32H35N3O2/c1-4-22-16-26-27(17-25(22)23-7-11-35(12-8-23)19-20-9-13-37-14-10-20)32(2,3)31-29(30(26)36)24-6-5-21(18-33)15-28(24)34-31/h5-7,15-17,20,34H,4,8-14,19H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	49	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))	BDBM50187715 (CHEMBL3735386) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1C1=CCN(CC2CCOCC2)CC1 |t:28| Show InChI InChI=1S/C32H35N3O2/c1-4-22-16-26-27(17-25(22)23-7-11-35(12-8-23)19-20-9-13-37-14-10-20)32(2,3)31-29(30(26)36)24-6-5-21(18-33)15-28(24)34-31/h5-7,15-17,20,34H,4,8-14,19H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50187715 (CHEMBL3735386) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1C1=CCN(CC2CCOCC2)CC1 |t:28| Show InChI InChI=1S/C32H35N3O2/c1-4-22-16-26-27(17-25(22)23-7-11-35(12-8-23)19-20-9-13-37-14-10-20)32(2,3)31-29(30(26)36)24-6-5-21(18-33)15-28(24)34-31/h5-7,15-17,20,34H,4,8-14,19H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	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