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BDBM50077659 CHEMBL281214::[3-(3-Phenyl-pyrrolidin-1-ylmethyl)-phenyl]-piperidin-1-yl-methanone

SMILES: O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1

InChI Key: InChIKey=GSDNUWIKENUUCL-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50077659   
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
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50077659
PNG
(CHEMBL281214 | [3-(3-Phenyl-pyrrolidin-1-ylmethyl)...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1
Show InChI InChI=1S/C23H28N2O/c26-23(25-13-5-2-6-14-25)21-11-7-8-19(16-21)17-24-15-12-22(18-24)20-9-3-1-4-10-20/h1,3-4,7-11,16,22H,2,5-6,12-15,17-18H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
24n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL




Bioorg Med Chem Lett 9: 1379-84 (1999)


BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077659
PNG
(CHEMBL281214 | [3-(3-Phenyl-pyrrolidin-1-ylmethyl)...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1
Show InChI InChI=1S/C23H28N2O/c26-23(25-13-5-2-6-14-25)21-11-7-8-19(16-21)17-24-15-12-22(18-24)20-9-3-1-4-10-20/h1,3-4,7-11,16,22H,2,5-6,12-15,17-18H2
KEGG

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
31n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 9: 1379-84 (1999)


BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077659
PNG
(CHEMBL281214 | [3-(3-Phenyl-pyrrolidin-1-ylmethyl)...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1
Show InChI InChI=1S/C23H28N2O/c26-23(25-13-5-2-6-14-25)21-11-7-8-19(16-21)17-24-15-12-22(18-24)20-9-3-1-4-10-20/h1,3-4,7-11,16,22H,2,5-6,12-15,17-18H2
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
320n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin


Bioorg Med Chem Lett 9: 1379-84 (1999)


BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50077659
PNG
(CHEMBL281214 | [3-(3-Phenyl-pyrrolidin-1-ylmethyl)...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1
Show InChI InChI=1S/C23H28N2O/c26-23(25-13-5-2-6-14-25)21-11-7-8-19(16-21)17-24-15-12-22(18-24)20-9-3-1-4-10-20/h1,3-4,7-11,16,22H,2,5-6,12-15,17-18H2
Reactome pathway
KEGG

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
783n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride


Bioorg Med Chem Lett 9: 1379-84 (1999)


BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50077659
PNG
(CHEMBL281214 | [3-(3-Phenyl-pyrrolidin-1-ylmethyl)...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1
Show InChI InChI=1S/C23H28N2O/c26-23(25-13-5-2-6-14-25)21-11-7-8-19(16-21)17-24-15-12-22(18-24)20-9-3-1-4-10-20/h1,3-4,7-11,16,22H,2,5-6,12-15,17-18H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
8.81E+4n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 of rat striatum using [3H]-SCH-23,390


Bioorg Med Chem Lett 9: 1379-84 (1999)


BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair