BDBM50437061 CHEMBL2403377

SMILES: CC(=O)N1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)C#N)cc2C1

InChI Key: InChIKey=OUDNHJQPMQFCDI-PXNMLYILSA-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 = 50437061   

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))	BDBM50437061 (CHEMBL2403377) Show SMILES CC(=O)N1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)C#N)cc2C1 Show InChI InChI=1S/C19H16N4O2/c1-11(24)23-5-4-17-13(10-23)7-14(21-17)8-16-15-6-12(9-20)2-3-18(15)22-19(16)25/h2-3,6-8,21H,4-5,10H2,1H3,(H,22,25)/b16-8-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ALK (unknown origin)				Bioorg Med Chem Lett 23: 4085-90 (2013) Article DOI: 10.1016/j.bmcl.2013.05.054 BindingDB Entry DOI: 10.7270/Q2SB474D
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50437061 (CHEMBL2403377) Show SMILES CC(=O)N1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)C#N)cc2C1 Show InChI InChI=1S/C19H16N4O2/c1-11(24)23-5-4-17-13(10-23)7-14(21-17)8-16-15-6-12(9-20)2-3-18(15)22-19(16)25/h2-3,6-8,21H,4-5,10H2,1H3,(H,22,25)/b16-8-	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of RET (unknown origin)				Bioorg Med Chem Lett 23: 4085-90 (2013) Article DOI: 10.1016/j.bmcl.2013.05.054 BindingDB Entry DOI: 10.7270/Q2SB474D
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM50437061 (CHEMBL2403377) Show SMILES CC(=O)N1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)C#N)cc2C1 Show InChI InChI=1S/C19H16N4O2/c1-11(24)23-5-4-17-13(10-23)7-14(21-17)8-16-15-6-12(9-20)2-3-18(15)22-19(16)25/h2-3,6-8,21H,4-5,10H2,1H3,(H,22,25)/b16-8-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human LRRK2 (1885 to 2132) using 5-Fluo-Ahx-RLGRDKYKTLRQIRQGNTK-OH as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 4085-90 (2013) Article DOI: 10.1016/j.bmcl.2013.05.054 BindingDB Entry DOI: 10.7270/Q2SB474D
					More data for this Ligand-Target Pair