BindingDB logo
myBDB logout

5 similar compounds to monomer 50037705

Compile data set for download or QSAR
Wt: 279.4
BDBM50006968
Wt: 333.5
BDBM50159017
Wt: 305.4
BDBM50037703
Wt: 319.4
BDBM50037706
Wt: 293.4
BDBM50037702

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50006968,50159017,50037703,50037706,50037702   
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
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50037706
PNG
(CHEMBL3357791)
Show SMILES C1C[C@H](CC[C@H]1NC1CCc2ccccc2CC1)c1ccccc1
Show InChI InChI=1S/C23H29N/c1-2-6-18(7-3-1)21-12-16-23(17-13-21)24-22-14-10-19-8-4-5-9-20(19)11-15-22/h1-9,21-24H,10-17H2/t21-,23+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50037703
PNG
(CHEMBL3357788)
Show SMILES C1CN(CCC1c1ccccc1)C1CCc2ccccc2CC1
Show InChI InChI=1S/C22H27N/c1-2-6-18(7-3-1)21-14-16-23(17-15-21)22-12-10-19-8-4-5-9-20(19)11-13-22/h1-9,21-22H,10-17H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.90n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50006968
PNG
((3-Phenyl-propyl)-(6,7,8,9-tetrahydro-5H-benzocycl...)
Show SMILES C(CNC1CCc2ccccc2CC1)Cc1ccccc1
Show InChI InChI=1S/C20H25N/c1-2-7-17(8-3-1)9-6-16-21-20-14-12-18-10-4-5-11-19(18)13-15-20/h1-5,7-8,10-11,20-21H,6,9,12-16H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
7.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor


J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50037706
PNG
(CHEMBL3357791)
Show SMILES C1C[C@H](CC[C@H]1NC1CCc2ccccc2CC1)c1ccccc1
Show InChI InChI=1S/C23H29N/c1-2-6-18(7-3-1)21-12-16-23(17-13-21)24-22-14-10-19-8-4-5-9-20(19)11-15-22/h1-9,21-24H,10-17H2/t21-,23+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membranes after 180 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50006968
PNG
((3-Phenyl-propyl)-(6,7,8,9-tetrahydro-5H-benzocycl...)
Show SMILES C(CNC1CCc2ccccc2CC1)Cc1ccccc1
Show InChI InChI=1S/C20H25N/c1-2-7-17(8-3-1)9-6-16-21-20-14-12-18-10-4-5-11-19(18)13-15-20/h1-5,7-8,10-11,20-21H,6,9,12-16H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50037702
PNG
(CHEMBL3357787)
Show SMILES C(CCc1ccccc1)CNC1CCc2ccccc2CC1
Show InChI InChI=1S/C21H27N/c1-2-8-18(9-3-1)10-6-7-17-22-21-15-13-19-11-4-5-12-20(19)14-16-21/h1-5,8-9,11-12,21-22H,6-7,10,13-17H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
17n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50037703
PNG
(CHEMBL3357788)
Show SMILES C1CN(CCC1c1ccccc1)C1CCc2ccccc2CC1
Show InChI InChI=1S/C22H27N/c1-2-6-18(7-3-1)21-14-16-23(17-15-21)22-12-10-19-8-4-5-9-20(19)11-13-22/h1-9,21-22H,10-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membranes after 180 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159017
PNG
(4-Benzyl-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten...)
Show SMILES C(C1CCCc2ccccc2C1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H31N/c1-2-7-20(8-3-1)17-21-13-15-25(16-14-21)19-22-9-6-12-23-10-4-5-11-24(23)18-22/h1-5,7-8,10-11,21-22H,6,9,12-19H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
28.7n/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


(Homo sapiens (Human))
BDBM50159017
PNG
(4-Benzyl-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten...)
Show SMILES C(C1CCCc2ccccc2C1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H31N/c1-2-7-20(8-3-1)17-21-13-15-25(16-14-21)19-22-9-6-12-23-10-4-5-11-24(23)18-22/h1-5,7-8,10-11,21-22H,6,9,12-19H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
47.3n/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
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50006968
PNG
((3-Phenyl-propyl)-(6,7,8,9-tetrahydro-5H-benzocycl...)
Show SMILES C(CNC1CCc2ccccc2CC1)Cc1ccccc1
Show InChI InChI=1S/C20H25N/c1-2-7-17(8-3-1)9-6-16-21-20-14-12-18-10-4-5-11-19(18)13-15-20/h1-5,7-8,10-11,20-21H,6,9,12-16H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
150n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membranes after 180 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50037702
PNG
(CHEMBL3357787)
Show SMILES C(CCc1ccccc1)CNC1CCc2ccccc2CC1
Show InChI InChI=1S/C21H27N/c1-2-8-18(9-3-1)10-6-7-17-22-21-15-13-19-11-4-5-12-20(19)14-16-21/h1-5,8-9,11-12,21-22H,6-7,10,13-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
216n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membranes after 180 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50159017
PNG
(4-Benzyl-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten...)
Show SMILES C(C1CCCc2ccccc2C1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H31N/c1-2-7-20(8-3-1)17-21-13-15-25(16-14-21)19-22-9-6-12-23-10-4-5-11-24(23)18-22/h1-5,7-8,10-11,21-22H,6,9,12-19H2
Reactome pathway
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against dopamine D2 receptor using 0.2 nM [3H]-spiperone


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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50159017
PNG
(4-Benzyl-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten...)
Show SMILES C(C1CCCc2ccccc2C1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H31N/c1-2-7-20(8-3-1)17-21-13-15-25(16-14-21)19-22-9-6-12-23-10-4-5-11-24(23)18-22/h1-5,7-8,10-11,21-22H,6,9,12-19H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/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
DOPAMINE


(RAT)
BDBM50006968
PNG
((3-Phenyl-propyl)-(6,7,8,9-tetrahydro-5H-benzocycl...)
Show SMILES C(CNC1CCc2ccccc2CC1)Cc1ccccc1
Show InChI InChI=1S/C20H25N/c1-2-7-17(8-3-1)9-6-16-21-20-14-12-18-10-4-5-11-19(18)13-15-20/h1-5,7-8,10-11,20-21H,6,9,12-16H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro binding affinity at Dopamine receptor D1 using [3H]SCH-23390 as radioligand


J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50006968
PNG
((3-Phenyl-propyl)-(6,7,8,9-tetrahydro-5H-benzocycl...)
Show SMILES C(CNC1CCc2ccccc2CC1)Cc1ccccc1
Show InChI InChI=1S/C20H25N/c1-2-7-17(8-3-1)9-6-16-21-20-14-12-18-10-4-5-11-19(18)13-15-20/h1-5,7-8,10-11,20-21H,6,9,12-16H2
Reactome pathway
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro binding affinity at Dopamine receptor D2 in rat striata using [3H]domperidone as radioligand


J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50006968
PNG
((3-Phenyl-propyl)-(6,7,8,9-tetrahydro-5H-benzocycl...)
Show SMILES C(CNC1CCc2ccccc2CC1)Cc1ccccc1
Show InChI InChI=1S/C20H25N/c1-2-7-17(8-3-1)9-6-16-21-20-14-12-18-10-4-5-11-19(18)13-15-20/h1-5,7-8,10-11,20-21H,6,9,12-16H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro binding affinity at PCP binding site of Sigma opioid receptor using (+)-[3H]-NANM as radioligand


J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair