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Compile Data Set for Download or QSAR

Found 712 hits with Last Name = 'neumann' and Initial = 'l'   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461413
PNG
(CHEMBL1201343)
Show SMILES CCCN[C@H]1CCC2N=C(N)SC2C1 |r,t:8|
Show InChI InChI=1S/C10H19N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7-9,12H,2-6H2,1H3,(H2,11,13)/t7-,8?,9?/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D3 receptor


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50597579
PNG
(CHEMBL5197201)
Show SMILES Clc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1
PDB

KEGG

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0.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50597587
PNG
(CHEMBL5174969)
Show SMILES Fc1ccc2c(Cc3nnc(Cc4cccc(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1
PDB

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0.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50597581
PNG
(CHEMBL5183772)
Show SMILES COc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1
PDB

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0.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50597590
PNG
(CHEMBL5185547)
Show SMILES COc1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1
PDB

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0.600n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM523770
PNG
(US11136312, Compound SK-I-124)
Show SMILES Fc1ccc2c(Cc3nnc(Cc4c[nH]c5cc(F)ccc45)n3CCCc3c[nH]cn3)c[nH]c2c1
PDB

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


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50597591
PNG
(CHEMBL5172814)
Show SMILES CS(=O)(=O)c1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1
PDB

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


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50597580
PNG
(CHEMBL5179456)
Show SMILES COc1ccccc1Cc1nnc(Cc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1
PDB

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


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM523757
PNG
(US11136312, Compound MM-I-87)
Show SMILES Fc1ccc2c(Cc3nnc(Cc4cccc(c4)C(F)(F)F)n3CCCc3c[nH]cn3)c[nH]c2c1
PDB

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


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM523754
PNG
(US11136312, Compound MM-I-66)
Show SMILES FC(F)(F)c1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1
PDB

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0.800n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50597576
PNG
(CHEMBL5180543)
Show SMILES Clc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1Cl
PDB

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0.800n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50597589
PNG
(CHEMBL5209180)
Show SMILES COc1ccccc1Cc1nnc(Cc2c[nH]c3cc(F)ccc23)n1CCCc1c[nH]cn1
PDB

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0.900n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM523767
PNG
(US11136312, Compound SK-I-91)
Show SMILES Fc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1
PDB

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0.900n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM523755
PNG
(US11136312, Compound MM-I-72)
Show SMILES CS(=O)(=O)c1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1
PDB

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1n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM523756
PNG
(US11136312, Compound MM-I-83)
Show SMILES Fc1ccc2c(Cc3nnc(Cc4cccc(Br)c4)n3CCCc3c[nH]cn3)c[nH]c2c1
PDB

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1n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50597585
PNG
(CHEMBL5176083)
Show SMILES Fc1ccc2c(Cc3nnc(Cc4ccc(Cl)c(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1
PDB

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1.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50597577
PNG
(CHEMBL5190056)
Show SMILES Clc1cc(Cl)cc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1
PDB

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1.20n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM523760
PNG
(US11136312, Compound SK-I-22)
Show SMILES Clc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1
PDB

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1.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50597586
PNG
(CHEMBL5173784)
Show SMILES Fc1ccc2c(Cc3nnc(Cc4cc(Cl)cc(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1
PDB

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1.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM523759
PNG
(US11136312, Compound SK-I-16)
Show SMILES Fc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1
PDB

KEGG

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1.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM523762
PNG
(US11136312, Compound SK-I-25)
Show SMILES C(Cc1c[nH]cn1)Cn1c(Cc2c[nH]c3ccccc23)nnc1Cc1ccccc1
PDB

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1.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM523766
PNG
(US11136312, Compound SK-I-57)
Show SMILES COc1ccc2[nH]cc(Cc3nnc(Cc4cccc(c4)C(F)(F)F)n3CCCc3c[nH]cn3)c2c1
PDB

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1.80n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM523761
PNG
(US11136312, Compound SK-I-23)
Show SMILES COc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1
PDB

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2.20n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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2.34n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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2.34n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50597578
PNG
(CHEMBL5205998)
Show SMILES Clc1ccccc1Cc1nnc(Cc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1
PDB

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2.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM523764
PNG
(US11136312, Compound SK-I-55)
Show SMILES COc1ccc2[nH]cc(Cc3nnc(Cc4ccc(F)cc4)n3CCCc3c[nH]cn3)c2c1
PDB

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


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM523758
PNG
(US11136312, Compound MM-I-89)
Show SMILES Fc1ccc2c(Cc3nnc(Cc4ccccc4)n3CCCc3c[nH]cn3)c[nH]c2c1
PDB

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3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM523763
PNG
(US11136312, Compound SK-I-53)
Show SMILES COc1ccc2[nH]cc(Cc3nnc(Cc4ccccc4)n3CCCc3c[nH]cn3)c2c1
PDB

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3.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM523738
PNG
(US11136312, Compound BN-VI-97)
Show SMILES FC(F)(F)c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1
PDB

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3.20n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM523765
PNG
(US11136312, Compound SK-I-56)
Show SMILES COc1ccc(Cc2nnc(Cc3c[nH]c4ccc(OC)cc34)n2CCCc2c[nH]cn2)cc1
PDB

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3.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50461413
PNG
(CHEMBL1201343)
Show SMILES CCCN[C@H]1CCC2N=C(N)SC2C1 |r,t:8|
Show InChI InChI=1S/C10H19N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7-9,12H,2-6H2,1H3,(H2,11,13)/t7-,8?,9?/m0/s1
PDB

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3.90n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D2 receptor


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM523734
PNG
(US11136312, Compound BN-VI-56)
Show SMILES Clc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1
PDB

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5.10n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM523768
PNG
(US11136312, Compound SK-I-105)
Show SMILES COc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1
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5.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50461409
PNG
(CHEMBL4224763)
Show SMILES CCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C18H29NO/c1-2-3-4-5-6-7-12-19-13-11-17(15-19)16-9-8-10-18(20)14-16/h8-10,14,17,20H,2-7,11-13,15H2,1H3
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5.10n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in stable HEK cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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5.5n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in stable HEK cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM523742
PNG
(US11136312, Compound SM-I-50)
Show SMILES Brc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1
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5.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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5.5n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in stable HEK cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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5.80n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in stable HEK cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50597588
PNG
(CHEMBL5187631)
Show SMILES Fc1ccc2c(Cc3nnc(Cc4cccc(c4)C#N)n3CCCc3c[nH]cn3)c[nH]c2c1
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6.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM523746
PNG
(US11136312, Compound SM-I-92)
Show SMILES CS(=O)(=O)c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1
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7n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50597582
PNG
(CHEMBL5180752)
Show SMILES N#Cc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1
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7.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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7.60n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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7.60n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM523733
PNG
(US11136312, Compound BN-VI-61)
Show SMILES COc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1
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7.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00044f
BindingDB Entry DOI: 10.7270/Q21C21X0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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8.90n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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8.91n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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8.91n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461414
PNG
(CHEMBL4225278)
Show SMILES CCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-13-20-14-12-18(16-20)17-10-9-11-19(21)15-17/h9-11,15,18,21H,2-8,12-14,16H2,1H3
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9n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50461409
PNG
(CHEMBL4224763)
Show SMILES CCCCCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C18H29NO/c1-2-3-4-5-6-7-12-19-13-11-17(15-19)16-9-8-10-18(20)14-16/h8-10,14,17,20H,2-7,11-13,15H2,1H3
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9.40n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]-Way100635 from 5HT1A receptor (unknown origin) expressed in stable CHO cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
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