BDBM257207 US9493440, 51

SMILES: C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12

InChI Key:

Data: 6 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 257207   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S) (Homo sapiens (Human))	BDBM257207 (US9493440, 51) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 Show InChI	PDB GoogleScholar	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	8.5	25
Merck Sharp & Dohme Corp US Patent					Assay Description a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...				US Patent US9493440 (2016) BindingDB Entry DOI: 10.7270/Q2668C4X
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S) (Homo sapiens (Human))	BDBM257207 (US9493440, 51) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 Show InChI	PDB GoogleScholar	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	8.5	25
Merck Sharp & Dohme Corp US Patent					Assay Description a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...				US Patent US9493440 (2016) BindingDB Entry DOI: 10.7270/Q2668C4X
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM257207 (US9493440, 51) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in baculovirus expression system usi...				J Med Chem 63: 11330-11361 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM257207 (US9493440, 51) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				J Med Chem 60: 2983-2992 (2017) Article DOI: 10.1021/acs.jmedchem.7b00045 BindingDB Entry DOI: 10.7270/Q2H997GZ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM257207 (US9493440, 51) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 60: 2983-2992 (2017) Article DOI: 10.1021/acs.jmedchem.7b00045 BindingDB Entry DOI: 10.7270/Q2H997GZ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM257207 (US9493440, 51) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				J Med Chem 60: 2983-2992 (2017) Article DOI: 10.1021/acs.jmedchem.7b00045 BindingDB Entry DOI: 10.7270/Q2H997GZ
					More data for this Ligand-Target Pair