BDBM254919 US9499542, 2::US9675594, 2

SMILES: Cc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12

InChI Key: InChIKey=ANPOAAOWVMMUTG-UHFFFAOYSA-N

Data: 2 KI  4 IC50  2 EC50

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 8 hits for monomerid = 254919   

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))	BDBM254919 (US9499542, 2 | US9675594, 2) Show SMILES Cc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12 Show InChI InChI=1S/C15H11N3/c1-10-3-2-4-11(7-10)13-5-6-17-15-14(13)12(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af...				J Med Chem 60: 8945-8962 (2017) Article DOI: 10.1021/acs.jmedchem.7b01186 BindingDB Entry DOI: 10.7270/Q2BR8VMR
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM254919 (US9499542, 2 | US9675594, 2) Show SMILES Cc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12 Show InChI InChI=1S/C15H11N3/c1-10-3-2-4-11(7-10)13-5-6-17-15-14(13)12(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrat...				J Med Chem 60: 8945-8962 (2017) Article DOI: 10.1021/acs.jmedchem.7b01186 BindingDB Entry DOI: 10.7270/Q2BR8VMR
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S) (Homo sapiens (Human))	BDBM254919 (US9499542, 2 | US9675594, 2) Show SMILES Cc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12 Show InChI InChI=1S/C15H11N3/c1-10-3-2-4-11(7-10)13-5-6-17-15-14(13)12(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	195	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 (LRRK2) (Homo sapiens (Human))	BDBM254919 (US9499542, 2 | US9675594, 2) Show SMILES Cc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12 Show InChI InChI=1S/C15H11N3/c1-10-3-2-4-11(7-10)13-5-6-17-15-14(13)12(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type LRRK2 phosphorylation at ser935 transfected in HEK293 cells after 48 hrs by in-cell Western assay				J Med Chem 60: 8945-8962 (2017) Article DOI: 10.1021/acs.jmedchem.7b01186 BindingDB Entry DOI: 10.7270/Q2BR8VMR
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM254919 (US9499542, 2 | US9675594, 2) Show SMILES Cc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12 Show InChI InChI=1S/C15H11N3/c1-10-3-2-4-11(7-10)13-5-6-17-15-14(13)12(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af...				J Med Chem 60: 8945-8962 (2017) Article DOI: 10.1021/acs.jmedchem.7b01186 BindingDB Entry DOI: 10.7270/Q2BR8VMR
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM254919 (US9499542, 2 | US9675594, 2) Show SMILES Cc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12 Show InChI InChI=1S/C15H11N3/c1-10-3-2-4-11(7-10)13-5-6-17-15-14(13)12(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	170	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 G2019S (Homo sapiens (Human))	BDBM254919 (US9499542, 2 | US9675594, 2) Show SMILES Cc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12 Show InChI InChI=1S/C15H11N3/c1-10-3-2-4-11(7-10)13-5-6-17-15-14(13)12(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	195	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 (LRRK2) (Homo sapiens (Human))	BDBM254919 (US9499542, 2 | US9675594, 2) Show SMILES Cc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12 Show InChI InChI=1S/C15H11N3/c1-10-3-2-4-11(7-10)13-5-6-17-15-14(13)12(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	170	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