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BDBM50064556 1-(2-Isopropoxy-phenyl)-4-[3-(piperidine-1-sulfonyl)-benzyl]-piperazine::CHEMBL301465

SMILES: CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)S(=O)(=O)N2CCCCC2)CC1

InChI Key: InChIKey=XSDARYRXXMUVBS-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50064556   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50064556
PNG
(1-(2-Isopropoxy-phenyl)-4-[3-(piperidine-1-sulfony...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)S(=O)(=O)N2CCCCC2)CC1
Show InChI InChI=1S/C25H35N3O3S/c1-21(2)31-25-12-5-4-11-24(25)27-17-15-26(16-18-27)20-22-9-8-10-23(19-22)32(29,30)28-13-6-3-7-14-28/h4-5,8-12,19,21H,3,6-7,13-18,20H2,1-2H3
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 from rat striatum


J Med Chem 41: 1997-2009 (1998)


Article DOI: 10.1021/jm970164z
BindingDB Entry DOI: 10.7270/Q2KK9CG0
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50064556
PNG
(1-(2-Isopropoxy-phenyl)-4-[3-(piperidine-1-sulfony...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)S(=O)(=O)N2CCCCC2)CC1
Show InChI InChI=1S/C25H35N3O3S/c1-21(2)31-25-12-5-4-11-24(25)27-17-15-26(16-18-27)20-22-9-8-10-23(19-22)32(29,30)28-13-6-3-7-14-28/h4-5,8-12,19,21H,3,6-7,13-18,20H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against 5-hydroxytryptamine 1A receptor from rat cerebral cortex


J Med Chem 41: 1997-2009 (1998)


Article DOI: 10.1021/jm970164z
BindingDB Entry DOI: 10.7270/Q2KK9CG0
More data for this
Ligand-Target Pair