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BDBM50196610 CHEMBL3956552::US10167270, Compound 11h

SMILES: C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccco1

InChI Key: InChIKey=NZSRNECXKGBZCA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50196610   
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
Glucosylceramidase


(Homo sapiens (Human))
BDBM50196610
PNG
(CHEMBL3956552 | US10167270, Compound 11h)
Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C21H17N3O/c1-2-7-15-13-16(12-14(15)6-1)22-20-17-8-3-4-9-18(17)23-21(24-20)19-10-5-11-25-19/h1-11,16H,12-13H2,(H,22,23,24)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
US Patent
n/an/a 21.1n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)


Article DOI: 10.1021/jm0506625
BindingDB Entry DOI: 10.7270/Q2862JH8
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (Human))
BDBM50196610
PNG
(CHEMBL3956552 | US10167270, Compound 11h)
Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C21H17N3O/c1-2-7-15-13-16(12-14(15)6-1)22-20-17-8-3-4-9-18(17)23-21(24-20)19-10-5-11-25-19/h1-11,16H,12-13H2,(H,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/an/an/an/a5.9n/a



Northwestern University Feinberg School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of synthetic recombinant wild type GCase enzyme velaglucerase alfa (unknown origin) at pH 5.9 preincubated for 5 mins followed by addition...


J Med Chem 59: 8508-20 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00930
BindingDB Entry DOI: 10.7270/Q2QF8VV6
More data for this
Ligand-Target Pair