BDBM50250328 CHEMBL4092521

SMILES: Cc1cccc(n1)-c1cc(Nc2nn(C)cc2Cl)nc2[nH]cc(C#N)c12

InChI Key: InChIKey=UAVJSXMOVRPUER-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50250328   

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))	BDBM50250328 (CHEMBL4092521) Show SMILES Cc1cccc(n1)-c1cc(Nc2nn(C)cc2Cl)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C18H14ClN7/c1-10-4-3-5-14(22-10)12-6-15(23-17-13(19)9-26(2)25-17)24-18-16(12)11(7-20)8-21-18/h3-6,8-9H,1-2H3,(H2,21,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	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))	BDBM50250328 (CHEMBL4092521) Show SMILES Cc1cccc(n1)-c1cc(Nc2nn(C)cc2Cl)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C18H14ClN7/c1-10-4-3-5-14(22-10)12-6-15(23-17-13(19)9-26(2)25-17)24-18-16(12)11(7-20)8-21-18/h3-6,8-9H,1-2H3,(H2,21,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Inhibition of human LRRK2 G2019S mutant phosphorylation at ser935 expressed in BacMam transduced 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))	BDBM50250328 (CHEMBL4092521) Show SMILES Cc1cccc(n1)-c1cc(Nc2nn(C)cc2Cl)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C18H14ClN7/c1-10-4-3-5-14(22-10)12-6-15(23-17-13(19)9-26(2)25-17)24-18-16(12)11(7-20)8-21-18/h3-6,8-9H,1-2H3,(H2,21,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	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 expressed in BacMam transduced 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))	BDBM50250328 (CHEMBL4092521) Show SMILES Cc1cccc(n1)-c1cc(Nc2nn(C)cc2Cl)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C18H14ClN7/c1-10-4-3-5-14(22-10)12-6-15(23-17-13(19)9-26(2)25-17)24-18-16(12)11(7-20)8-21-18/h3-6,8-9H,1-2H3,(H2,21,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	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