BDBM384371 US9932325, Example 58

SMILES: CCNc1nc(Nc2cnn(C3CCC3)c2C#N)ncc1Br

InChI Key: InChIKey=AIEQUNWPQVTKPG-UHFFFAOYSA-N

Data: 1 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 = 384371   

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 [G2019S] (Homo sapiens (Human))	BDBM384371 (US11111235, No. 58 | US9932325, Example 58) Show SMILES CCNc1nc(Nc2cnn(C3CCC3)c2C#N)ncc1Br Show InChI InChI=1S/C14H16BrN7/c1-2-17-13-10(15)7-18-14(21-13)20-11-8-19-22(12(11)6-16)9-4-3-5-9/h7-9H,2-5H2,1H3,(H2,17,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S] (Homo sapiens (Human))	BDBM384371 (US11111235, No. 58 | US9932325, Example 58) Show SMILES CCNc1nc(Nc2cnn(C3CCC3)c2C#N)ncc1Br Show InChI InChI=1S/C14H16BrN7/c1-2-17-13-10(15)7-18-14(21-13)20-11-8-19-22(12(11)6-16)9-4-3-5-9/h7-9H,2-5H2,1H3,(H2,17,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...				Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q29G5Q4M
					More data for this Ligand-Target Pair