BindingDB logo
myBDB logout

PubMed code 10843230

Compile data set for download or QSAR
Found 20 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
D(1A) dopamine receptor


(RAT)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
0.120n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards dopamine D1-like receptor in homogenate of caudateputamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50088753
PNG
(5-(3-Bromo-phenyl)-8-chloro-3-methyl-2,3,4,5-tetra...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc(Br)c1
Show InChI InChI=1S/C17H17BrClNO/c1-20-6-5-12-8-16(19)17(21)9-14(12)15(10-20)11-3-2-4-13(18)7-11/h2-4,7-9,15,21H,5-6,10H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.260n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards dopamine D1-like receptor in homogenate of caudateputamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50088754
PNG
(CHEMBL274577 | Cyclopentadienyltricarbonylrheniumb...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1C(=O)C1=CC=C[C@@H]1[Re](C=O)(C=O)C=O |c:27,t:25|
Show InChI InChI=1S/C23H21ClNO2.3CHO.Re/c1-25-11-10-16-12-21(24)22(26)13-19(16)20(14-25)17-8-4-5-9-18(17)23(27)15-6-2-3-7-15;3*1-2;/h2-9,12-13,20,26H,10-11,14H2,1H3;3*1H;
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.610n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards dopamine D1-like receptor in homogenate of caudateputamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50088755
PNG
(5-(2-Bromo-phenyl)-8-chloro-3-methyl-2,3,4,5-tetra...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1Br
Show InChI InChI=1S/C17H17BrClNO/c1-20-7-6-11-8-16(19)17(21)9-13(11)14(10-20)12-4-2-3-5-15(12)18/h2-5,8-9,14,21H,6-7,10H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.700n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards dopamine D1-like receptor in homogenate of caudateputamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50088753
PNG
(5-(3-Bromo-phenyl)-8-chloro-3-methyl-2,3,4,5-tetra...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc(Br)c1
Show InChI InChI=1S/C17H17BrClNO/c1-20-6-5-12-8-16(19)17(21)9-14(12)15(10-20)11-3-2-4-13(18)7-11/h2-4,7-9,15,21H,5-6,10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
2.80n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards cerebral 5-hydroxytryptamine 2C receptor in homogenate of caudate putamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50088756
PNG
(CHEMBL427996 | Cyclopentadienyltricarbonylrheniumb...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc(c1)C(=O)C1=CC=C[C@@H]1[Re](C=O)(C=O)C=O |c:27,t:25|
Show InChI InChI=1S/C23H21ClNO2.3CHO.Re/c1-25-10-9-17-12-21(24)22(26)13-19(17)20(14-25)16-7-4-8-18(11-16)23(27)15-5-2-3-6-15;3*1-2;/h2-8,11-13,20,26H,9-10,14H2,1H3;3*1H;
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
2.90n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards dopamine D1-like receptor in homogenate of caudateputamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50088753
PNG
(5-(3-Bromo-phenyl)-8-chloro-3-methyl-2,3,4,5-tetra...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc(Br)c1
Show InChI InChI=1S/C17H17BrClNO/c1-20-6-5-12-8-16(19)17(21)9-14(12)15(10-20)11-3-2-4-13(18)7-11/h2-4,7-9,15,21H,5-6,10H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
8.5n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards cerebral 5-hydroxytryptamine 2A receptor in homogenate of caudate putamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
11n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards cerebral 5-hydroxytryptamine 2A receptor in homogenate of caudate putamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50088755
PNG
(5-(2-Bromo-phenyl)-8-chloro-3-methyl-2,3,4,5-tetra...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1Br
Show InChI InChI=1S/C17H17BrClNO/c1-20-7-6-11-8-16(19)17(21)9-13(11)14(10-20)12-4-2-3-5-15(12)18/h2-5,8-9,14,21H,6-7,10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards cerebral 5-hydroxytryptamine 2C receptor in homogenate of caudate putamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
13n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards cerebral 5-hydroxytryptamine 2C receptor in homogenate of caudate putamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50088754
PNG
(CHEMBL274577 | Cyclopentadienyltricarbonylrheniumb...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1C(=O)C1=CC=C[C@@H]1[Re](C=O)(C=O)C=O |c:27,t:25|
Show InChI InChI=1S/C23H21ClNO2.3CHO.Re/c1-25-11-10-16-12-21(24)22(26)13-19(16)20(14-25)17-8-4-5-9-18(17)23(27)15-6-2-3-7-15;3*1-2;/h2-9,12-13,20,26H,10-11,14H2,1H3;3*1H;
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards cerebral 5-hydroxytryptamine 2A receptor in homogenate of caudate putamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50088755
PNG
(5-(2-Bromo-phenyl)-8-chloro-3-methyl-2,3,4,5-tetra...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1Br
Show InChI InChI=1S/C17H17BrClNO/c1-20-7-6-11-8-16(19)17(21)9-13(11)14(10-20)12-4-2-3-5-15(12)18/h2-5,8-9,14,21H,6-7,10H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards cerebral 5-hydroxytryptamine 2A receptor in homogenate of caudate putamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50088754
PNG
(CHEMBL274577 | Cyclopentadienyltricarbonylrheniumb...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1C(=O)C1=CC=C[C@@H]1[Re](C=O)(C=O)C=O |c:27,t:25|
Show InChI InChI=1S/C23H21ClNO2.3CHO.Re/c1-25-11-10-16-12-21(24)22(26)13-19(16)20(14-25)17-8-4-5-9-18(17)23(27)15-6-2-3-7-15;3*1-2;/h2-9,12-13,20,26H,10-11,14H2,1H3;3*1H;
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
29n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards cerebral 5-hydroxytryptamine 2C receptor in homogenate of caudate putamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50088756
PNG
(CHEMBL427996 | Cyclopentadienyltricarbonylrheniumb...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc(c1)C(=O)C1=CC=C[C@@H]1[Re](C=O)(C=O)C=O |c:27,t:25|
Show InChI InChI=1S/C23H21ClNO2.3CHO.Re/c1-25-10-9-17-12-21(24)22(26)13-19(17)20(14-25)16-7-4-8-18(11-16)23(27)15-5-2-3-6-15;3*1-2;/h2-8,11-13,20,26H,9-10,14H2,1H3;3*1H;
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
106n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards cerebral 5-hydroxytryptamine 2C receptor in homogenate of caudate putamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50088756
PNG
(CHEMBL427996 | Cyclopentadienyltricarbonylrheniumb...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc(c1)C(=O)C1=CC=C[C@@H]1[Re](C=O)(C=O)C=O |c:27,t:25|
Show InChI InChI=1S/C23H21ClNO2.3CHO.Re/c1-25-10-9-17-12-21(24)22(26)13-19(17)20(14-25)16-7-4-8-18(11-16)23(27)15-5-2-3-6-15;3*1-2;/h2-8,11-13,20,26H,9-10,14H2,1H3;3*1H;
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
227n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards cerebral 5-hydroxytryptamine 2A receptor in homogenate of caudate putamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50088754
PNG
(CHEMBL274577 | Cyclopentadienyltricarbonylrheniumb...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1C(=O)C1=CC=C[C@@H]1[Re](C=O)(C=O)C=O |c:27,t:25|
Show InChI InChI=1S/C23H21ClNO2.3CHO.Re/c1-25-11-10-16-12-21(24)22(26)13-19(16)20(14-25)17-8-4-5-9-18(17)23(27)15-6-2-3-7-15;3*1-2;/h2-9,12-13,20,26H,10-11,14H2,1H3;3*1H;
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
549n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards dopamine D2-like receptor in homogenate of caudate putamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50088755
PNG
(5-(2-Bromo-phenyl)-8-chloro-3-methyl-2,3,4,5-tetra...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1Br
Show InChI InChI=1S/C17H17BrClNO/c1-20-7-6-11-8-16(19)17(21)9-13(11)14(10-20)12-4-2-3-5-15(12)18/h2-5,8-9,14,21H,6-7,10H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
583n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards dopamine D2-like receptor in homogenate of caudate putamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50088753
PNG
(5-(3-Bromo-phenyl)-8-chloro-3-methyl-2,3,4,5-tetra...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc(Br)c1
Show InChI InChI=1S/C17H17BrClNO/c1-20-6-5-12-8-16(19)17(21)9-14(12)15(10-20)11-3-2-4-13(18)7-11/h2-4,7-9,15,21H,5-6,10H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.12E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards dopamine D2-like receptor in homogenate of caudate putamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
1.21E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards dopamine D2-like receptor in homogenate of caudate putamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50088756
PNG
(CHEMBL427996 | Cyclopentadienyltricarbonylrheniumb...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc(c1)C(=O)C1=CC=C[C@@H]1[Re](C=O)(C=O)C=O |c:27,t:25|
Show InChI InChI=1S/C23H21ClNO2.3CHO.Re/c1-25-10-9-17-12-21(24)22(26)13-19(17)20(14-25)16-7-4-8-18(11-16)23(27)15-5-2-3-6-15;3*1-2;/h2-8,11-13,20,26H,9-10,14H2,1H3;3*1H;
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards dopamine D2-like receptor in homogenate of caudate putamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%