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SMILES: CCc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12

InChI Key: InChIKey=KBHSVDKRLSYHJD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 254920   

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))	BDBM254920 (US9499542, 3 | US9675594, 3) Show SMILES CCc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12 Show InChI InChI=1S/C16H13N3/c1-2-11-4-3-5-12(8-11)14-6-7-18-16-15(14)13(9-17)10-19-16/h3-8,10H,2H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	252	n/a	n/a	n/a	n/a	8.5	30
H. Lundbeck A/S; Vernalis (R&D) Ltd. US Patent					Assay Description LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...				US Patent US9499542 (2016) BindingDB Entry DOI: 10.7270/Q22N516S
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [970-2527] (Homo sapiens (Human))	BDBM254920 (US9499542, 3 | US9675594, 3) Show SMILES CCc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12 Show InChI InChI=1S/C16H13N3/c1-2-11-4-3-5-12(8-11)14-6-7-18-16-15(14)13(9-17)10-19-16/h3-8,10H,2H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	266	n/a	n/a	n/a	n/a
NMMLSC US Patent					Assay Description In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...				US Patent US9675594 (2017) BindingDB Entry DOI: 10.7270/Q2ZC8110
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [970-2527,G2019S] (Homo sapiens (Human))	BDBM254920 (US9499542, 3 | US9675594, 3) Show SMILES CCc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12 Show InChI InChI=1S/C16H13N3/c1-2-11-4-3-5-12(8-11)14-6-7-18-16-15(14)13(9-17)10-19-16/h3-8,10H,2H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	252	n/a	n/a	n/a	n/a
NMMLSC US Patent					Assay Description In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...				US Patent US9675594 (2017) BindingDB Entry DOI: 10.7270/Q2ZC8110
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM254920 (US9499542, 3 | US9675594, 3) Show SMILES CCc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12 Show InChI InChI=1S/C16H13N3/c1-2-11-4-3-5-12(8-11)14-6-7-18-16-15(14)13(9-17)10-19-16/h3-8,10H,2H2,1H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	266	n/a	n/a	n/a	n/a	8.5	30
H. Lundbeck A/S; Vernalis (R&D) Ltd. US Patent					Assay Description LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...				US Patent US9499542 (2016) BindingDB Entry DOI: 10.7270/Q22N516S
					More data for this Ligand-Target Pair