BDBM50271370 CHEMBL4127042

SMILES: CN1CCc2cc(Nc3ncc(C4CC4)c(NCCCNC(=N)C4CCC4)n3)ccc2C1

InChI Key: InChIKey=LMPCYUMUDIOPBH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50271370   

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
Serine/threonine-protein kinase ULK2 (Homo sapiens (Human))	BDBM50271370 (CHEMBL4127042) Show SMILES CN1CCc2cc(Nc3ncc(C4CC4)c(NCCCNC(=N)C4CCC4)n3)ccc2C1 Show InChI InChI=1S/C25H35N7/c1-32-13-10-19-14-21(9-8-20(19)16-32)30-25-29-15-22(17-6-7-17)24(31-25)28-12-3-11-27-23(26)18-4-2-5-18/h8-9,14-15,17-18H,2-7,10-13,16H2,1H3,(H2,26,27)(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan Universitt China Hospital Curated by ChEMBL					Assay Description Inhibition of GST-tagged ULK2 (unknown origin)				J Med Chem 61: 6491-6500 (2018) Article DOI: 10.1021/acs.jmedchem.7b01684 BindingDB Entry DOI: 10.7270/Q2DN47KX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ULK1 (Homo sapiens (Human))	BDBM50271370 (CHEMBL4127042) Show SMILES CN1CCc2cc(Nc3ncc(C4CC4)c(NCCCNC(=N)C4CCC4)n3)ccc2C1 Show InChI InChI=1S/C25H35N7/c1-32-13-10-19-14-21(9-8-20(19)16-32)30-25-29-15-22(17-6-7-17)24(31-25)28-12-3-11-27-23(26)18-4-2-5-18/h8-9,14-15,17-18H,2-7,10-13,16H2,1H3,(H2,26,27)(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan Universitt China Hospital Curated by ChEMBL					Assay Description Inhibition of GST-tagged ULK1 (unknown origin)				J Med Chem 61: 6491-6500 (2018) Article DOI: 10.1021/acs.jmedchem.7b01684 BindingDB Entry DOI: 10.7270/Q2DN47KX
					More data for this Ligand-Target Pair