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PubMed code 31532644

Compile data set for download or QSAR
Found 8 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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50509150
PNG
(LY-3154207 | Ly3154207 | Mevidalen)
Show SMILES C[C@@H]1N([C@@H](CO)Cc2c(CCC(C)(C)O)cccc12)C(=O)Cc1c(Cl)cccc1Cl |r|
Show InChI InChI=1S/C24H29Cl2NO3/c1-15-18-7-4-6-16(10-11-24(2,3)30)19(18)12-17(14-28)27(15)23(29)13-20-21(25)8-5-9-22(20)26/h4-9,15,17,28,30H,10-14H2,1-3H3/t15-,17+/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



AMRI UK Ltd

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1A receptor (unknown origin) by radioligand displacement assay


J Med Chem 62: 8711-8732 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01234
BindingDB Entry DOI: 10.7270/Q2CC140V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50509150
PNG
(LY-3154207 | Ly3154207 | Mevidalen)
Show SMILES C[C@@H]1N([C@@H](CO)Cc2c(CCC(C)(C)O)cccc12)C(=O)Cc1c(Cl)cccc1Cl |r|
Show InChI InChI=1S/C24H29Cl2NO3/c1-15-18-7-4-6-16(10-11-24(2,3)30)19(18)12-17(14-28)27(15)23(29)13-20-21(25)8-5-9-22(20)26/h4-9,15,17,28,30H,10-14H2,1-3H3/t15-,17+/m0/s1
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n/an/an/an/a 2.30n/an/an/an/a



AMRI UK Ltd

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human D1 receptor transiently expressed in HEK293 cells assessed as potentiation of EC20 dopamine-induced c...


J Med Chem 62: 8711-8732 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01234
BindingDB Entry DOI: 10.7270/Q2CC140V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50509149
PNG
(CHEMBL3421836)
Show SMILES C[C@@H]1N([C@@H](CO)Cc2c(CC(C)(C)O)cccc12)C(=O)Cc1c(Cl)cccc1Cl |r|
Show InChI InChI=1S/C23H27Cl2NO3/c1-14-17-7-4-6-15(12-23(2,3)29)18(17)10-16(13-27)26(14)22(28)11-19-20(24)8-5-9-21(19)25/h4-9,14,16,27,29H,10-13H2,1-3H3/t14-,16+/m0/s1
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KEGG

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n/an/an/an/a 76n/an/an/an/a



AMRI UK Ltd

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human D1 receptor stably expressed in HEK293 cells assessed as potentiation of EC20 dopamine-induced cAMP a...


J Med Chem 62: 8711-8732 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01234
BindingDB Entry DOI: 10.7270/Q2CC140V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50509150
PNG
(LY-3154207 | Ly3154207 | Mevidalen)
Show SMILES C[C@@H]1N([C@@H](CO)Cc2c(CCC(C)(C)O)cccc12)C(=O)Cc1c(Cl)cccc1Cl |r|
Show InChI InChI=1S/C24H29Cl2NO3/c1-15-18-7-4-6-16(10-11-24(2,3)30)19(18)12-17(14-28)27(15)23(29)13-20-21(25)8-5-9-22(20)26/h4-9,15,17,28,30H,10-14H2,1-3H3/t15-,17+/m0/s1
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n/an/an/an/a 13n/an/an/an/a



AMRI UK Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human D1 receptor stably expressed in HEK293 cells assessed as induction of cAMP accumulation incubated for 60 mins by HTRF assay


J Med Chem 62: 8711-8732 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01234
BindingDB Entry DOI: 10.7270/Q2CC140V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50509151
PNG
(CHEMBL3421730)
Show SMILES C[C@@H]1N([C@@H](CO)Cc2c1cccc2C(C)(C)O)C(=O)Cc1c(Cl)cccc1Cl |r|
Show InChI InChI=1S/C22H25Cl2NO3/c1-13-15-6-4-7-18(22(2,3)28)16(15)10-14(12-26)25(13)21(27)11-17-19(23)8-5-9-20(17)24/h4-9,13-14,26,28H,10-12H2,1-3H3/t13-,14+/m0/s1
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KEGG

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n/an/an/an/a 14n/an/an/an/a



AMRI UK Ltd

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human D1 receptor stably expressed in HEK293 cells assessed as potentiation of EC20 dopamine-induced cAMP a...


J Med Chem 62: 8711-8732 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01234
BindingDB Entry DOI: 10.7270/Q2CC140V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Mus musculus (Mouse))
BDBM50509150
PNG
(LY-3154207 | Ly3154207 | Mevidalen)
Show SMILES C[C@@H]1N([C@@H](CO)Cc2c(CCC(C)(C)O)cccc12)C(=O)Cc1c(Cl)cccc1Cl |r|
Show InChI InChI=1S/C24H29Cl2NO3/c1-15-18-7-4-6-16(10-11-24(2,3)30)19(18)12-17(14-28)27(15)23(29)13-20-21(25)8-5-9-22(20)26/h4-9,15,17,28,30H,10-14H2,1-3H3/t15-,17+/m0/s1
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n/an/an/an/a 62n/an/an/an/a



AMRI UK Ltd

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at mouse D1 receptor transiently expressed in HEK293 cells assessed as potentiation of EC20 dopamine-induced c...


J Med Chem 62: 8711-8732 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01234
BindingDB Entry DOI: 10.7270/Q2CC140V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50509150
PNG
(LY-3154207 | Ly3154207 | Mevidalen)
Show SMILES C[C@@H]1N([C@@H](CO)Cc2c(CCC(C)(C)O)cccc12)C(=O)Cc1c(Cl)cccc1Cl |r|
Show InChI InChI=1S/C24H29Cl2NO3/c1-15-18-7-4-6-16(10-11-24(2,3)30)19(18)12-17(14-28)27(15)23(29)13-20-21(25)8-5-9-22(20)26/h4-9,15,17,28,30H,10-14H2,1-3H3/t15-,17+/m0/s1
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KEGG

UniProtKB/SwissProt

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



AMRI UK Ltd

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human D1 receptor stably expressed in HEK293 cells assessed as potentiation of EC20 dopamine-induced cAMP a...


J Med Chem 62: 8711-8732 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01234
BindingDB Entry DOI: 10.7270/Q2CC140V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50509150
PNG
(LY-3154207 | Ly3154207 | Mevidalen)
Show SMILES C[C@@H]1N([C@@H](CO)Cc2c(CCC(C)(C)O)cccc12)C(=O)Cc1c(Cl)cccc1Cl |r|
Show InChI InChI=1S/C24H29Cl2NO3/c1-15-18-7-4-6-16(10-11-24(2,3)30)19(18)12-17(14-28)27(15)23(29)13-20-21(25)8-5-9-22(20)26/h4-9,15,17,28,30H,10-14H2,1-3H3/t15-,17+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



AMRI UK Ltd

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human D5 receptor transiently expressed in HEK293 cells assessed as potentiation of EC20 dopamine-induced c...


J Med Chem 62: 8711-8732 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01234
BindingDB Entry DOI: 10.7270/Q2CC140V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%