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Compile Data Set for Download or QSAR

Found 5 hits of kd for monomerid = 60917   
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


(Homo sapiens (Human))
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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MCE
KEGG
PC cid
PC sid
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PDB
Article
PubMed
n/an/an/a 28n/an/an/an/an/a



VA Medical Center

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant against recombinant Dopamine receptor D1A expressed in COS7 cells


J Med Chem 39: 850-9 (1996)


Article DOI: 10.1021/jm950447w
BindingDB Entry DOI: 10.7270/Q2XG9RT3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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PubMed
n/an/an/a 1.30E+3n/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes.


J Med Chem 43: 3005-19 (2000)


BindingDB Entry DOI: 10.7270/Q24J0FS2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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PubMed
n/an/an/a 1.90E+3n/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes.


J Med Chem 43: 3005-19 (2000)


BindingDB Entry DOI: 10.7270/Q24J0FS2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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n/an/an/a 2.70E+3n/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.


J Med Chem 43: 3005-19 (2000)


BindingDB Entry DOI: 10.7270/Q24J0FS2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
PDB

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KEGG

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MCE
KEGG
PC cid
PC sid
PDB
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PubMed
n/an/an/a 1.30E+4n/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.


J Med Chem 43: 3005-19 (2000)


BindingDB Entry DOI: 10.7270/Q24J0FS2
More data for this
Ligand-Target Pair