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BDBM50029247 Pentanoic acid {5-[4-(2-methoxy-phenyl)-piperazin-1-ylmethyl]-1-methyl-1H-pyrrol-2-ylmethyl}-methyl-amide;succinate

SMILES: CCCCC(=O)N(C)Cc1ccc(CN2CCN(CC2)c2ccccc2OC)n1C

InChI Key: InChIKey=RNDCMHYDTXTBFA-UHFFFAOYSA-N

Data: 2 KI

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 = 50029247   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50029247
PNG
(Pentanoic acid {5-[4-(2-methoxy-phenyl)-piperazin-...)
Show SMILES CCCCC(=O)N(C)Cc1ccc(CN2CCN(CC2)c2ccccc2OC)n1C
Show InChI InChI=1S/C24H36N4O2/c1-5-6-11-24(29)25(2)18-20-12-13-21(26(20)3)19-27-14-16-28(17-15-27)22-9-7-8-10-23(22)30-4/h7-10,12-13H,5-6,11,14-19H2,1-4H3
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.5n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1A receptor using [3H]WB-4101


J Med Chem 38: 4198-210 (1995)


Article DOI: 10.1021/jm00021a009
BindingDB Entry DOI: 10.7270/Q2GX4C61
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50029247
PNG
(Pentanoic acid {5-[4-(2-methoxy-phenyl)-piperazin-...)
Show SMILES CCCCC(=O)N(C)Cc1ccc(CN2CCN(CC2)c2ccccc2OC)n1C
Show InChI InChI=1S/C24H36N4O2/c1-5-6-11-24(29)25(2)18-20-12-13-21(26(20)3)19-27-14-16-28(17-15-27)22-9-7-8-10-23(22)30-4/h7-10,12-13H,5-6,11,14-19H2,1-4H3
Reactome pathway
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
300n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Dopamine receptor D2 using [3H]spiperone


J Med Chem 38: 4198-210 (1995)


Article DOI: 10.1021/jm00021a009
BindingDB Entry DOI: 10.7270/Q2GX4C61
More data for this
Ligand-Target Pair