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BDBM50291347 CHEMBL164330::Piperidin-1-yl-[3-(3,4,10,10a-tetrahydro-1H-9-oxa-2,4a-diaza-phenanthren-2-ylmethyl)-phenyl]-methanone

SMILES: O=C(N1CCCCC1)c1cccc(CN2CCN3C(COc4ccccc34)C2)c1

InChI Key: InChIKey=MLQBZMDETHZBJW-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 = 50291347   
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 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50291347
PNG
(CHEMBL164330 | Piperidin-1-yl-[3-(3,4,10,10a-tetra...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCN3C(COc4ccccc34)C2)c1
Show InChI InChI=1S/C24H29N3O2/c28-24(26-11-4-1-5-12-26)20-8-6-7-19(15-20)16-25-13-14-27-21(17-25)18-29-23-10-3-2-9-22(23)27/h2-3,6-10,15,21H,1,4-5,11-14,16-18H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50291347
PNG
(CHEMBL164330 | Piperidin-1-yl-[3-(3,4,10,10a-tetra...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCN3C(COc4ccccc34)C2)c1
Show InChI InChI=1S/C24H29N3O2/c28-24(26-11-4-1-5-12-26)20-8-6-7-19(15-20)16-25-13-14-27-21(17-25)18-29-23-10-3-2-9-22(23)27/h2-3,6-10,15,21H,1,4-5,11-14,16-18H2
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at Alpha-1 adrenergic receptor using [3H]prazosin as radioligand.


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50291347
PNG
(CHEMBL164330 | Piperidin-1-yl-[3-(3,4,10,10a-tetra...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCN3C(COc4ccccc34)C2)c1
Show InChI InChI=1S/C24H29N3O2/c28-24(26-11-4-1-5-12-26)20-8-6-7-19(15-20)16-25-13-14-27-21(17-25)18-29-23-10-3-2-9-22(23)27/h2-3,6-10,15,21H,1,4-5,11-14,16-18H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at Dopamine receptor D2 using [3H]-spiperone as radioligand.


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair