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BDBM114299 (3R,6S)-1-acetyl-3-(1H-indol-3-yl)-N-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-6-carboxamide::(3R,6S)-1-acetyl-3-(1H-indol-3-yl)-N-tosyl-3,6-dihydro-2H-pyridine-6-carboxamide::(3R,6S)-1-ethanoyl-3-(1H-indol-3-yl)-N-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-6-carboxamide::MLS003874092::SMR002530747::cid_60156651

SMILES: CC(=O)N1C[C@H](C=C[C@H]1C(=O)NS(=O)(=O)c1ccc(C)cc1)c1c[nH]c2ccccc12

InChI Key: InChIKey=WEMLBQXERQWONS-JTSKRJEESA-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 = 114299   
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
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))
BDBM114299
PNG
((3R,6S)-1-acetyl-3-(1H-indol-3-yl)-N-(4-methylphen...)
Show SMILES CC(=O)N1C[C@H](C=C[C@H]1C(=O)NS(=O)(=O)c1ccc(C)cc1)c1c[nH]c2ccccc12 |c:6|
Show InChI InChI=1S/C23H23N3O4S/c1-15-7-10-18(11-8-15)31(29,30)25-23(28)22-12-9-17(14-26(22)16(2)27)20-13-24-21-6-4-3-5-19(20)21/h3-13,17,22,24H,14H2,1-2H3,(H,25,28)/t17-,22-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.54E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3


(Homo sapiens (Human))
BDBM114299
PNG
((3R,6S)-1-acetyl-3-(1H-indol-3-yl)-N-(4-methylphen...)
Show SMILES CC(=O)N1C[C@H](C=C[C@H]1C(=O)NS(=O)(=O)c1ccc(C)cc1)c1c[nH]c2ccccc12 |c:6|
Show InChI InChI=1S/C23H23N3O4S/c1-15-7-10-18(11-8-15)31(29,30)25-23(28)22-12-9-17(14-26(22)16(2)27)20-13-24-21-6-4-3-5-19(20)21/h3-13,17,22,24H,14H2,1-2H3,(H,25,28)/t17-,22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.22E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2S46QKQ
More data for this
Ligand-Target Pair