BDBM105075 CHEMBL2152708::US8569281, 59

SMILES: CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)NC4COC4)n(c3)C(C)C)c12

InChI Key: InChIKey=KROJTAOUSJBQLC-UHFFFAOYSA-N

Data: 3 KI

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 = 105075   

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 (LRRK2) (Homo sapiens (Human))	BDBM105075 (CHEMBL2152708 | US8569281, 59) Show SMILES CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)NC4COC4)n(c3)C(C)C)c12 Show InChI InChI=1S/C20H25N5O3/c1-11(2)25-8-13(7-16(25)19(26)22-14-9-27-10-14)18-17-15(23-24-18)5-6-21-20(17)28-12(3)4/h5-8,11-12,14H,9-10H2,1-4H3,(H,22,26)(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to LRRK2				ACS Med Chem Lett 3: 701-702 (2012) Article DOI: 10.1021/ml300200p BindingDB Entry DOI: 10.7270/Q2514092
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM105075 (CHEMBL2152708 | US8569281, 59) Show SMILES CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)NC4COC4)n(c3)C(C)C)c12 Show InChI InChI=1S/C20H25N5O3/c1-11(2)25-8-13(7-16(25)19(26)22-14-9-27-10-14)18-17-15(23-24-18)5-6-21-20(17)28-12(3)4/h5-8,11-12,14H,9-10H2,1-4H3,(H,22,26)(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles River Curated by ChEMBL					Assay Description Inhibition of full length wild-type LRRK2 (unknown origin) using biotinylated ezrin/radaxin/meosin peptide as substrate measured after 1 hr				Bioorg Med Chem Lett 27: 2520-2527 (2017) Article DOI: 10.1016/j.bmcl.2017.03.098 BindingDB Entry DOI: 10.7270/Q2474D0R
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM105075 (CHEMBL2152708 | US8569281, 59) Show SMILES CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)NC4COC4)n(c3)C(C)C)c12 Show InChI InChI=1S/C20H25N5O3/c1-11(2)25-8-13(7-16(25)19(26)22-14-9-27-10-14)18-17-15(23-24-18)5-6-21-20(17)28-12(3)4/h5-8,11-12,14H,9-10H2,1-4H3,(H,22,26)(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology; Genentech, Inc. US Patent					Assay Description This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining Kiapp, IC50 or percent inhibition values.				US Patent US8569281 (2013) BindingDB Entry DOI: 10.7270/Q2DN43PM
					More data for this Ligand-Target Pair