BindingDB logo
myBDB logout

BDBM50051562 1-(2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-piperazine::CHEMBL71724

SMILES: COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1

InChI Key: InChIKey=IAUNACXRZSWWJT-UHFFFAOYNA-N

Data: 11 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 11 hits for monomerid = 50051562   
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 receptor


(RAT)
BDBM50051562
PNG
(1-(2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-p...)
Show SMILES COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-Spiperone towards Dopamine receptor D4 expressed in cultured cells or from rat whole brain.


J Med Chem 39: 2435-7 (1996)


Article DOI: 10.1021/jm960084f
BindingDB Entry DOI: 10.7270/Q2H1314Z
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50051562
PNG
(1-(2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-p...)
Show SMILES COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.40n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
The compound was tested for CNS binding affinity towards Dopamine receptor D4 from cloned Human membranes.


J Med Chem 41: 2180-3 (1998)


Article DOI: 10.1021/jm980137o
BindingDB Entry DOI: 10.7270/Q2NV9HCP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50051562
PNG
(1-(2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-p...)
Show SMILES COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.70n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 1D receptor from cloned gorilla membranes expressed in cultured HEK 293 ...


J Med Chem 41: 2180-3 (1998)


Article DOI: 10.1021/jm980137o
BindingDB Entry DOI: 10.7270/Q2NV9HCP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50051562
PNG
(1-(2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-p...)
Show SMILES COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
76n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 2A receptor from cloned Human membranes


J Med Chem 41: 2180-3 (1998)


Article DOI: 10.1021/jm980137o
BindingDB Entry DOI: 10.7270/Q2NV9HCP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50051562
PNG
(1-(2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-p...)
Show SMILES COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
899n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 1A receptor from cloned Human membranes.


J Med Chem 41: 2180-3 (1998)


Article DOI: 10.1021/jm980137o
BindingDB Entry DOI: 10.7270/Q2NV9HCP
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50051562
PNG
(1-(2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-p...)
Show SMILES COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-U-86,170 towards Dopamine receptor D2 in cloned mammalian receptor expressed in cultured cells or from rat whole brain


J Med Chem 39: 2435-7 (1996)


Article DOI: 10.1021/jm960084f
BindingDB Entry DOI: 10.7270/Q2H1314Z
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50051562
PNG
(1-(2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-p...)
Show SMILES COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-8-OH-DPAT towards 5-hydroxytryptamine 1A receptor in cloned mammalian receptor expressed in cultured cells or from rat whole...


J Med Chem 39: 2435-7 (1996)


Article DOI: 10.1021/jm960084f
BindingDB Entry DOI: 10.7270/Q2H1314Z
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50051562
PNG
(1-(2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-p...)
Show SMILES COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-Spiperone towards Dopamine receptor D3 in cloned mammalian receptor expressed in cultured cells or from rat whole brain.


J Med Chem 39: 2435-7 (1996)


Article DOI: 10.1021/jm960084f
BindingDB Entry DOI: 10.7270/Q2H1314Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50051562
PNG
(1-(2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-p...)
Show SMILES COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.43E+3n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
The compound was tested for CNS binding affinity towards Dopamine receptor D2 from cloned Human membranes.


J Med Chem 41: 2180-3 (1998)


Article DOI: 10.1021/jm980137o
BindingDB Entry DOI: 10.7270/Q2NV9HCP
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50051562
PNG
(1-(2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-p...)
Show SMILES COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>2.40E+3n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-SCH-23,390 towards Dopamine receptor D1 in cloned mammalian receptor expressed in cultured cells or from rat whole brain.


J Med Chem 39: 2435-7 (1996)


Article DOI: 10.1021/jm960084f
BindingDB Entry DOI: 10.7270/Q2H1314Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Gorilla gorilla gorilla)
BDBM50051562
PNG
(1-(2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-p...)
Show SMILES COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3
PDB
MMDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
7.24E+3n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 1B receptor from cloned gorilla membranes expressed in cultured HEK 293 ...


J Med Chem 41: 2180-3 (1998)


Article DOI: 10.1021/jm980137o
BindingDB Entry DOI: 10.7270/Q2NV9HCP
More data for this
Ligand-Target Pair