BindingDB logo
myBDB logout

BDBM50159018 1-Benzyl-4-chroman-2-ylmethyl-piperazine::1-benzyl-4-((3,4-dihydro-2H-chromen-2-yl)methyl)piperazine::CHEMBL179648

SMILES: C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=AJZBPCAHQHCXMX-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50159018   
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
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50159018
PNG
(1-Benzyl-4-chroman-2-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)16-22-12-14-23(15-13-22)17-20-11-10-19-8-4-5-9-21(19)24-20/h1-9,20H,10-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against sigma receptor type 1 using 3 nM [3H]pentazocine


J Med Chem 48: 266-73 (2005)


Article DOI: 10.1021/jm049433t
BindingDB Entry DOI: 10.7270/Q2JH3MZW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50159018
PNG
(1-Benzyl-4-chroman-2-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)16-22-12-14-23(15-13-22)17-20-11-10-19-8-4-5-9-21(19)24-20/h1-9,20H,10-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.02n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against sigma receptor type 2 using 3 nM [3H]ditolylguanidine


J Med Chem 48: 266-73 (2005)


Article DOI: 10.1021/jm049433t
BindingDB Entry DOI: 10.7270/Q2JH3MZW
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50159018
PNG
(1-Benzyl-4-chroman-2-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)16-22-12-14-23(15-13-22)17-20-11-10-19-8-4-5-9-21(19)24-20/h1-9,20H,10-17H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.61n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against Dopamine receptor D2


J Med Chem 48: 266-73 (2005)


Article DOI: 10.1021/jm049433t
BindingDB Entry DOI: 10.7270/Q2JH3MZW
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50159018
PNG
(1-Benzyl-4-chroman-2-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)16-22-12-14-23(15-13-22)17-20-11-10-19-8-4-5-9-21(19)24-20/h1-9,20H,10-17H2
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50159018
PNG
(1-Benzyl-4-chroman-2-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)16-22-12-14-23(15-13-22)17-20-11-10-19-8-4-5-9-21(19)24-20/h1-9,20H,10-17H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
20.7n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant was determined against 5-hydroxytryptamine 1A receptor using 1.2 nM [3H]8-OH-DPAT


J Med Chem 48: 266-73 (2005)


Article DOI: 10.1021/jm049433t
BindingDB Entry DOI: 10.7270/Q2JH3MZW
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50159018
PNG
(1-Benzyl-4-chroman-2-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)16-22-12-14-23(15-13-22)17-20-11-10-19-8-4-5-9-21(19)24-20/h1-9,20H,10-17H2
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
21n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilizatio...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50159018
PNG
(1-Benzyl-4-chroman-2-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)16-22-12-14-23(15-13-22)17-20-11-10-19-8-4-5-9-21(19)24-20/h1-9,20H,10-17H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
73n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2B receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50159018
PNG
(1-Benzyl-4-chroman-2-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)16-22-12-14-23(15-13-22)17-20-11-10-19-8-4-5-9-21(19)24-20/h1-9,20H,10-17H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
146n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic alpha2A receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50159018
PNG
(1-Benzyl-4-chroman-2-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)16-22-12-14-23(15-13-22)17-20-11-10-19-8-4-5-9-21(19)24-20/h1-9,20H,10-17H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
167n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic alpha2A receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50159018
PNG
(1-Benzyl-4-chroman-2-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)16-22-12-14-23(15-13-22)17-20-11-10-19-8-4-5-9-21(19)24-20/h1-9,20H,10-17H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
180n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic alpha2B receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...


Bioorg Med Chem Lett 18: 5689-93 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z
More data for this
Ligand-Target Pair