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BDBM50048230 1-(1-Phenyl-1H-pyrrol-3-ylmethyl)-4-pyridin-2-yl-piperazine::CHEMBL343466

SMILES: C(N1CCN(CC1)c1ccccn1)c1ccn(c1)-c1ccccc1

InChI Key: InChIKey=GPHWCCPBYXWRBX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50048230   
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 receptors; D2 & D4


(Homo sapiens (Human))
BDBM50048230
PNG
(1-(1-Phenyl-1H-pyrrol-3-ylmethyl)-4-pyridin-2-yl-p...)
Show SMILES C(N1CCN(CC1)c1ccccn1)c1ccn(c1)-c1ccccc1
Show InChI InChI=1S/C20H22N4/c1-2-6-19(7-3-1)24-11-9-18(17-24)16-22-12-14-23(15-13-22)20-8-4-5-10-21-20/h1-11,17H,12-16H2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.60n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from human Dopamine receptor D4


J Med Chem 38: 4950-2 (1996)


BindingDB Entry DOI: 10.7270/Q2FX7B33
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Cercopithecus aethiops)
BDBM50048230
PNG
(1-(1-Phenyl-1H-pyrrol-3-ylmethyl)-4-pyridin-2-yl-p...)
Show SMILES C(N1CCN(CC1)c1ccccn1)c1ccn(c1)-c1ccccc1
Show InChI InChI=1S/C20H22N4/c1-2-6-19(7-3-1)24-11-9-18(17-24)16-22-12-14-23(15-13-22)20-8-4-5-10-21-20/h1-11,17H,12-16H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
25n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2


J Med Chem 38: 4950-2 (1996)


BindingDB Entry DOI: 10.7270/Q2FX7B33
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Chlorocebus aethiops)
BDBM50048230
PNG
(1-(1-Phenyl-1H-pyrrol-3-ylmethyl)-4-pyridin-2-yl-p...)
Show SMILES C(N1CCN(CC1)c1ccccn1)c1ccn(c1)-c1ccccc1
Show InChI InChI=1S/C20H22N4/c1-2-6-19(7-3-1)24-11-9-18(17-24)16-22-12-14-23(15-13-22)20-8-4-5-10-21-20/h1-11,17H,12-16H2
MMDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
150n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM 09151 from african moonkey Dopamine receptor D3


J Med Chem 38: 4950-2 (1996)


BindingDB Entry DOI: 10.7270/Q2FX7B33
More data for this
Ligand-Target Pair