BindingDB logo
myBDB logout

PubMed code 1674541

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50007550
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21
Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity determined in radioreceptor binding assay by using [3H]-SCH-23,390 radioligand against dopamine receptor D1


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50007550
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21
Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity determined in radioreceptor binding assay by using [3H]-SCH-23,390 radioligand against dopamine receptor D1


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007550
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21
Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.660n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against dopamine receptor D2 using raclopride as radioligand


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007551
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21
Show InChI InChI=1S/C22H24ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-6,9-11,13,15,19H,7-8,12,14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
2n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against dopamine receptor D2 using raclopride as radioligand


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007550
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21
Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
6.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Dopamine receptor D2 using raclopride as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50007551
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21
Show InChI InChI=1S/C22H24ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-6,9-11,13,15,19H,7-8,12,14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
12n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Alpha-1 adrenergic receptor using WB4101 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50007551
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21
Show InChI InChI=1S/C22H24ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-6,9-11,13,15,19H,7-8,12,14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
12n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Alpha-1 adrenergic receptor using WB4101 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50007550
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21
Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
61n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Alpha-1 adrenergic receptor using WB4101 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50007550
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21
Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
61n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Alpha-1 adrenergic receptor using WB4101 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50007551
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21
Show InChI InChI=1S/C22H24ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-6,9-11,13,15,19H,7-8,12,14H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
68n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity determined in radioreceptor binding assay by using [3H]-SCH-23,390 radioligand against dopamine receptor D1


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50007551
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21
Show InChI InChI=1S/C22H24ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-6,9-11,13,15,19H,7-8,12,14H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
68n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity determined in radioreceptor binding assay by using [3H]-SCH-23,390 radioligand against dopamine receptor D1


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007551
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21
Show InChI InChI=1S/C22H24ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-6,9-11,13,15,19H,7-8,12,14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
200n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against dopamine receptor D2 using raclopride as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50007550
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21
Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
800n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Sigma opioid receptor using DTG as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50007551
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21
Show InChI InChI=1S/C22H24ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-6,9-11,13,15,19H,7-8,12,14H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against sigma receptor using DTG as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50007551
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21
Show InChI InChI=1S/C22H24ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-6,9-11,13,15,19H,7-8,12,14H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against sigma receptor using DTG as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50007550
PNG
(3'-chlorospiro[2-cyclohexene-1,5'-(10',11'-dihydro...)
Show SMILES CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21
Show InChI InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against sigma receptor using DTG as radioligand


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%