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BDBM84340 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(3-chlorophenyl)-1-piperazinyl]ethanone::1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone::1-(1-acetylindolin-5-yl)-2-[4-(3-chlorophenyl)piperazino]ethanone::2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(1-ethanoyl-2,3-dihydroindol-5-yl)ethanone::MLS001367591::SMR000095211::cid_5309628

SMILES: CC(=O)N1CCc2cc(ccc12)C(=O)CN1CCN(CC1)c1cccc(Cl)c1

InChI Key: InChIKey=UYGZOMLQUUQWTQ-UHFFFAOYSA-N

Data: 2 EC50

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 = 84340   
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
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM84340
PNG
(1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(3-chlorop...)
Show SMILES CC(=O)N1CCc2cc(ccc12)C(=O)CN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H24ClN3O2/c1-16(27)26-8-7-17-13-18(5-6-21(17)26)22(28)15-24-9-11-25(12-10-24)20-4-2-3-19(23)14-20/h2-6,13-14H,7-12,15H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 7.61E+4n/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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM84340
PNG
(1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(3-chlorop...)
Show SMILES CC(=O)N1CCc2cc(ccc12)C(=O)CN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H24ClN3O2/c1-16(27)26-8-7-17-13-18(5-6-21(17)26)22(28)15-24-9-11-25(12-10-24)20-4-2-3-19(23)14-20/h2-6,13-14H,7-12,15H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 9.25E+4n/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) Assay Provider: Laura Bohn External Assay ID: OPRM1_AC...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2833QNG
More data for this
Ligand-Target Pair