BDBM50539935 CHEMBL4632948

SMILES: CC(C)Oc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1

InChI Key: InChIKey=NPRYKZQCTXZUKH-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 = 50539935   

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
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50539935 (CHEMBL4632948) Show SMILES CC(C)Oc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C27H32N6O3/c1-17(2)36-24-15-18(33-13-11-19(34)12-14-33)9-10-21(24)29-27-28-16-23-25(30-27)31(3)22-8-6-5-7-20(22)26(35)32(23)4/h5-10,15-17,19,34H,11-14H2,1-4H3,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as...				J Med Chem 63: 7817-7826 (2020)
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase DCLK1 (Homo sapiens (Human))	BDBM50539935 (CHEMBL4632948) Show SMILES CC(C)Oc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C27H32N6O3/c1-17(2)36-24-15-18(33-13-11-19(34)12-14-33)9-10-21(24)29-27-28-16-23-25(30-27)31(3)22-8-6-5-7-20(22)26(35)32(23)4/h5-10,15-17,19,34H,11-14H2,1-4H3,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO...				J Med Chem 63: 7817-7826 (2020)
					More data for this Ligand-Target Pair