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BDBM42389 6'-amino-1'-(3-chlorophenyl)-5'-cyano-3'-methyl-1-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]carboxylic acid ethyl ester::6'-amino-1'-(3-chlorophenyl)-5'-cyano-3'-methyl-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]-1-carboxylic acid ethyl ester::MLS000050713::SMR000078187::cid_2962025::ethyl 6'-amino-1'-(3-chlorophenyl)-5'-cyano-3'-methyl-1H,1'H-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]-1-carboxylate::ethyl 6'-amino-1'-(3-chlorophenyl)-5'-cyano-3'-methylspiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]-1-carboxylate::ethyl 6'-azanyl-1'-(3-chlorophenyl)-5'-cyano-3'-methyl-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]-1-carboxylate

SMILES: CCOC(=O)N1CCC2(CC1)C(C#N)C(=N)Oc1c2c(C)nn1-c1cccc(Cl)c1

InChI Key: InChIKey=UCLBLMBJMLGDCA-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 42389   
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))
BDBM42389
PNG
(6'-amino-1'-(3-chlorophenyl)-5'-cyano-3'-methyl-1-...)
Show SMILES CCOC(=O)N1CCC2(CC1)C(C#N)C(=N)Oc1c2c(C)nn1-c1cccc(Cl)c1
Show InChI InChI=1S/C21H22ClN5O3/c1-3-29-20(28)26-9-7-21(8-10-26)16(12-23)18(24)30-19-17(21)13(2)25-27(19)15-6-4-5-14(22)11-15/h4-6,11,16,24H,3,7-10H2,1-2H3
PDB
MMDB

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PC cid
PC sid
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Similars

n/an/an/an/a>1.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23J3BC8
More data for this
Ligand-Target Pair