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2 similar compounds to monomer 50180154

Compile data set for download or QSAR
Wt: 306.1
BDBM50273716
Wt: 333.3
BDBM50165979

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50273716,50165979   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165979
PNG
(CHEMBL3798426)
Show SMILES CSc1sc(-c2cc[nH]n2)c2CC(NC(=O)c12)C(F)(F)F
Show InChI InChI=1/C12H10F3N3OS2/c1-20-11-8-5(9(21-11)6-2-3-16-18-6)4-7(12(13,14)15)17-10(8)19/h2-3,7H,4H2,1H3,(H,16,18)(H,17,19)
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
198n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50165979
PNG
(CHEMBL3798426)
Show SMILES CSc1sc(-c2cc[nH]n2)c2CC(NC(=O)c12)C(F)(F)F
Show InChI InChI=1/C12H10F3N3OS2/c1-20-11-8-5(9(21-11)6-2-3-16-18-6)4-7(12(13,14)15)17-10(8)19/h2-3,7H,4H2,1H3,(H,16,18)(H,17,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
501n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 26: 2631-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.021
BindingDB Entry DOI: 10.7270/Q2RV0QKC
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50273716
PNG
(CHEMBL457423 | [2-(Benzoimidazol-1-yl)ethyl]-bisph...)
Show SMILES OP(O)(=O)C(Cn1cnc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C9H12N2O6P2/c12-18(13,14)9(19(15,16)17)5-11-6-10-7-3-1-2-4-8(7)11/h1-4,6,9H,5H2,(H2,12,13,14)(H2,15,16,17)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 16.1n/an/an/an/an/an/a



Universita di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)


J Med Chem 51: 6800-7 (2008)


Article DOI: 10.1021/jm801003y
BindingDB Entry DOI: 10.7270/Q2F76CD8
More data for this
Ligand-Target Pair