BDBM482159 BDBM50401284::GSK2578215A

SMILES: Fc1cc(ccn1)-c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1

InChI Key: InChIKey=WCIGMFCFPXZRMQ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 482159   

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))	BDBM482159 (BDBM50401284 | GSK2578215A) Show SMILES Fc1cc(ccn1)-c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C24H18FN3O2/c25-23-14-19(10-12-27-23)18-8-9-22(30-16-17-5-2-1-3-6-17)21(13-18)24(29)28-20-7-4-11-26-15-20/h1-15H,16H2,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	10.9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals R&D Curated by ChEMBL					Assay Description Inhibition of recombinant His6-Tev-tagged LRRK2 expressed in baculovirus assessed as inhibition of LRRKtide phospohorylation by HTRF assay				Bioorg Med Chem Lett 22: 5625-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.104 BindingDB Entry DOI: 10.7270/Q2BZ6767
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM482159 (BDBM50401284 | GSK2578215A) Show SMILES Fc1cc(ccn1)-c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C24H18FN3O2/c25-23-14-19(10-12-27-23)18-8-9-22(30-16-17-5-2-1-3-6-17)21(13-18)24(29)28-20-7-4-11-26-15-20/h1-15H,16H2,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	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))	BDBM482159 (BDBM50401284 | GSK2578215A) Show SMILES Fc1cc(ccn1)-c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C24H18FN3O2/c25-23-14-19(10-12-27-23)18-8-9-22(30-16-17-5-2-1-3-6-17)21(13-18)24(29)28-20-7-4-11-26-15-20/h1-15H,16H2,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Neurodegeneration DPU, Neurosciences Therapeutic Area Unit, GSK Pharmaceuticals R&D, 898 Halei Road, Zhangjiang Hi-Tech Park, Pudong, Shanghai 201203, PR China. Curated by ChEMBL					Assay Description Inhibition of LRRK2 (unknown origin) by HTRF assay				Bioorg Med Chem Lett 27: 4034-4038 (2017) Article DOI: 10.1016/j.bmcl.2017.07.052 BindingDB Entry DOI: 10.7270/Q2MG7S1N
					More data for this Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,A2016T,G2019S) (Homo sapiens (Human))	BDBM482159 (BDBM50401284 | GSK2578215A) Show SMILES Fc1cc(ccn1)-c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C24H18FN3O2/c25-23-14-19(10-12-27-23)18-8-9-22(30-16-17-5-2-1-3-6-17)21(13-18)24(29)28-20-7-4-11-26-15-20/h1-15H,16H2,(H,28,29)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	61.3	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...				US Patent US10913744 (2021)
					More data for this Ligand-Target Pair
GST-LRRK2 (aa 1326-2527) (Homo sapiens (Human))	BDBM482159 (BDBM50401284 | GSK2578215A) Show SMILES Fc1cc(ccn1)-c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C24H18FN3O2/c25-23-14-19(10-12-27-23)18-8-9-22(30-16-17-5-2-1-3-6-17)21(13-18)24(29)28-20-7-4-11-26-15-20/h1-15H,16H2,(H,28,29)	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	10.9	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...				US Patent US10913744 (2021)
					More data for this Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,A2016T) (Homo sapiens (Human))	BDBM482159 (BDBM50401284 | GSK2578215A) Show SMILES Fc1cc(ccn1)-c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C24H18FN3O2/c25-23-14-19(10-12-27-23)18-8-9-22(30-16-17-5-2-1-3-6-17)21(13-18)24(29)28-20-7-4-11-26-15-20/h1-15H,16H2,(H,28,29)	PDB MMDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	81.1	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...				US Patent US10913744 (2021)
					More data for this Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S) (Homo sapiens (Human))	BDBM482159 (BDBM50401284 | GSK2578215A) Show SMILES Fc1cc(ccn1)-c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C24H18FN3O2/c25-23-14-19(10-12-27-23)18-8-9-22(30-16-17-5-2-1-3-6-17)21(13-18)24(29)28-20-7-4-11-26-15-20/h1-15H,16H2,(H,28,29)	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...				US Patent US10913744 (2021)
					More data for this Ligand-Target Pair