BDBM50526301 CHEMBL4456099

SMILES: CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C3CCN(C)CC3)ncc2N(C)C1=O

InChI Key: InChIKey=WCMQEPUDHFATFM-JOCHJYFZSA-N

Data: 2 IC50  1 Kd

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 = 50526301   

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))	BDBM50526301 (CHEMBL4456099) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C27H38N6O2/c1-5-22-26(34)32(3)23-17-28-27(30-25(23)33(22)20-8-6-7-9-20)29-21-11-10-19(16-24(21)35-4)18-12-14-31(2)15-13-18/h10-11,16-18,20,22H,5-9,12-15H2,1-4H3,(H,28,29,30)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of kinase tracer 236 from human N-terminal GST-tagged ALK F1174L mutant (1058 to 1620 residues) after 60 mins by LanthaScreen Eu--kinase...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50526301 (CHEMBL4456099) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C27H38N6O2/c1-5-22-26(34)32(3)23-17-28-27(30-25(23)33(22)20-8-6-7-9-20)29-21-11-10-19(16-24(21)35-4)18-12-14-31(2)15-13-18/h10-11,16-18,20,22H,5-9,12-15H2,1-4H3,(H,28,29,30)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of PLK1 (unknown origin) using Ser/Thr 16 as substrate after 60 mins by Z-LYTE activity assay				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526301 (CHEMBL4456099) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C27H38N6O2/c1-5-22-26(34)32(3)23-17-28-27(30-25(23)33(22)20-8-6-7-9-20)29-21-11-10-19(16-24(21)35-4)18-12-14-31(2)15-13-18/h10-11,16-18,20,22H,5-9,12-15H2,1-4H3,(H,28,29,30)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to BRD4 (unknown origin) by isothermal calorimetry				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947
					More data for this Ligand-Target Pair