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Compile Data Set for Download or QSAR

Found 231 hits of ic50 data for polymerid = 9126   
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
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50574215
PNG
(CHEMBL4878875 | US20240000767, Example 102)
Show SMILES Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(COC3CCC3)C2)c(F)c1
PDB

UniProtKB/SwissProt

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n/an/a 0.0850n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50574215
PNG
(CHEMBL4878875 | US20240000767, Example 102)
Show SMILES Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(COC3CCC3)C2)c(F)c1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0850n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human alpha 2C adrenergic receptor expressed in CHO-K1 cells coexpressing Gaq and aequorin assessed as suppression of noradrenaline-ind...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00423
BindingDB Entry DOI: 10.7270/Q2183BBF
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50574218
PNG
(CHEMBL4875484 | US20240000767, Example 135)
Show SMILES FC1CN(CCC1N1CCCC2(CC2)C1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
PDB

UniProtKB/SwissProt

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


TBA



Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50574218
PNG
(CHEMBL4875484 | US20240000767, Example 135)
Show SMILES FC1CN(CCC1N1CCCC2(CC2)C1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.260n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human alpha 2C adrenergic receptor expressed in CHO-K1 cells coexpressing Gaq and aequorin assessed as suppression of noradrenaline-ind...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00423
BindingDB Entry DOI: 10.7270/Q2183BBF
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50574219
PNG
(CHEMBL4852159 | US20240000767, Example 140)
Show SMILES COc1cccc2CCN(Cc12)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
PDB

UniProtKB/SwissProt

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PC sid
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n/an/a 0.320n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50574219
PNG
(CHEMBL4852159 | US20240000767, Example 140)
Show SMILES COc1cccc2CCN(Cc12)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.320n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human alpha 2C adrenergic receptor expressed in CHO-K1 cells coexpressing Gaq and aequorin assessed as suppression of noradrenaline-ind...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00423
BindingDB Entry DOI: 10.7270/Q2183BBF
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50574216
PNG
(CHEMBL4876214 | US20240000767, Example 108)
Show SMILES Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(C2)OCC2CC2(F)F)c(F)c1
PDB

UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 0.370n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human alpha 2C adrenergic receptor expressed in CHO-K1 cells coexpressing Gaq and aequorin assessed as suppression of noradrenaline-ind...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00423
BindingDB Entry DOI: 10.7270/Q2183BBF
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50574216
PNG
(CHEMBL4876214 | US20240000767, Example 108)
Show SMILES Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(C2)OCC2CC2(F)F)c(F)c1
PDB

UniProtKB/SwissProt

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n/an/a 0.370n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50574220
PNG
(CHEMBL4868807 | US20240000767, Example 143)
Show SMILES Cc1ccc2CCN(Cc2c1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/a 0.420n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human alpha 2C adrenergic receptor expressed in CHO-K1 cells coexpressing Gaq and aequorin assessed as suppression of noradrenaline-ind...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00423
BindingDB Entry DOI: 10.7270/Q2183BBF
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50574220
PNG
(CHEMBL4868807 | US20240000767, Example 143)
Show SMILES Cc1ccc2CCN(Cc2c1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
PDB

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n/an/a 0.420n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50574217
PNG
(CHEMBL4866383 | US20240000767, Example 126)
Show SMILES Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(C2)OCC2CCC2)c(F)c1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.490n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human alpha 2C adrenergic receptor expressed in CHO-K1 cells coexpressing Gaq and aequorin assessed as suppression of noradrenaline-ind...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00423
BindingDB Entry DOI: 10.7270/Q2183BBF
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50574217
PNG
(CHEMBL4866383 | US20240000767, Example 126)
Show SMILES Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(C2)OCC2CCC2)c(F)c1
PDB

UniProtKB/SwissProt

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n/an/a 0.490n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM643032
PNG
(US20240000767, Example 111 | diamix-N-[(3,5-Difluo...)
Show SMILES C[C@@H]1CCCN(C1)C1CCN(CC1F)c1nc(cs1)C(=O)NCc1ncc(F)cc1F |r|
PDB

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n/an/a 0.490n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM642981
PNG
(US20240000767, Example 106 | US20240000767, Exampl...)
Show SMILES Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(COCC(F)(F)F)C2)c(F)c1
PDB

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


TBA



Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM643051
PNG
(N-[(3,5-Difluoropyridin-2-yl)methyl]-4-ethyl-2-[(3...)
Show SMILES CCc1nc(sc1C(=O)NCc1ncc(F)cc1F)N1CCC(CC1)N1CCC[C@@H](C)C1 |r|
PDB

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n/an/a 0.540n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM643034
PNG
(US20240000767, Example 113 | diamix-N-(5-Chloro-2-...)
Show SMILES C[C@@H]1CCCN(C1)C1CCN(CC1F)c1ncc(s1)C(=O)NCc1cc(Cl)ccc1F |r|
PDB

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


TBA



Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM642991
PNG
(US20240000767, Example 115 | US20240000767, Exampl...)
Show SMILES Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(COCC3CC3)C2)c(F)c1
PDB

UniProtKB/SwissProt

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


TBA



Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50403753
PNG
(CHEMBL162682)
Show SMILES Cc1nc2ccc(I)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Show InChI InChI=1S/C22H20IN3O2/c1-14-16(22(27)26-12-15(23)6-7-21(26)24-14)8-10-25-11-9-20-18(13-25)17-4-2-3-5-19(17)28-20/h2-7,12H,8-11,13H2,1H3
PDB

UniProtKB/SwissProt

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n/an/a 0.617n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2C adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)


BindingDB Entry DOI: 10.7270/Q2T72JMX
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM643038
PNG
(US20240000767, Example 117 | diamix-N-[1-(2,5-Difl...)
Show SMILES CC(NC(=O)c1cnc(s1)N1CCC(C(F)C1)N1CCC[C@@H](C)C1)c1cc(F)ccc1F |r|
PDB

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n/an/a 0.650n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM643042
PNG
(US20240000767, Example 121 | rac-N-[(3,5-Difluorop...)
Show SMILES CCCC1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
PDB

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n/an/a 0.650n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM643060
PNG
(US20240000767, Example 139)
Show SMILES Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCc3ccc(Cl)cc3C2)c(F)c1
PDB

UniProtKB/SwissProt

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n/an/a 0.650n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50403740
PNG
(CHEMBL165350)
Show SMILES Cc1nc2ccc(Br)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Show InChI InChI=1S/C22H20BrN3O2/c1-14-16(22(27)26-12-15(23)6-7-21(26)24-14)8-10-25-11-9-20-18(13-25)17-4-2-3-5-19(17)28-20/h2-7,12H,8-11,13H2,1H3
PDB

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n/an/a 0.692n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2C adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)


BindingDB Entry DOI: 10.7270/Q2T72JMX
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50403745
PNG
(CHEMBL162490)
Show SMILES COc1cccn2c1nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O
Show InChI InChI=1S/C23H23N3O3/c1-15-16(23(27)26-11-5-8-21(28-2)22(26)24-15)9-12-25-13-10-20-18(14-25)17-6-3-4-7-19(17)29-20/h3-8,11H,9-10,12-14H2,1-2H3
PDB

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n/an/a 0.708n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2C adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)


BindingDB Entry DOI: 10.7270/Q2T72JMX
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM642987
PNG
(US20240000767, Example 131 | US20240000767, Exampl...)
Show SMILES Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC3(CC3(F)F)C2)c(F)c1
PDB

UniProtKB/SwissProt

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PC sid
UniChem
n/an/a 0.710n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50403738
PNG
(CHEMBL351483)
Show SMILES Cc1nc2ccc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Show InChI InChI=1S/C22H20ClN3O2/c1-14-16(22(27)26-12-15(23)6-7-21(26)24-14)8-10-25-11-9-20-18(13-25)17-4-2-3-5-19(17)28-20/h2-7,12H,8-11,13H2,1H3
PDB

UniProtKB/SwissProt

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PC sid
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PubMed
n/an/a 0.724n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2C adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)


BindingDB Entry DOI: 10.7270/Q2T72JMX
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM643055
PNG
(US20240000767, Example 134 | diamix-2-[4-(1,1-Difl...)
Show SMILES FC1CN(CCC1N1CCCC2(CC2(F)F)C1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
PDB

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n/an/a 0.740n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM643024
PNG
(US20240000767, Example 103 | rac-N-[(3,5-Difluorop...)
Show SMILES CC(C)C1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
PDB

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n/an/a 0.830n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM643030
PNG
(US20240000767, Example 109 | rac-2-[3-(Cyclobutylo...)
Show SMILES Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(C2)OC2CCC2)c(F)c1
PDB

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n/an/a 0.850n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50403748
PNG
(CHEMBL162232)
Show SMILES Cc1cc(C)n2c(c1)nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O
Show InChI InChI=1S/C24H25N3O2/c1-15-12-16(2)27-23(13-15)25-17(3)18(24(27)28)8-10-26-11-9-22-20(14-26)19-6-4-5-7-21(19)29-22/h4-7,12-13H,8-11,14H2,1-3H3
PDB

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n/an/a 0.851n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2C adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)


BindingDB Entry DOI: 10.7270/Q2T72JMX
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM643054
PNG
(US20240000767, Example 133 | rac-N-[(3,5-Difluorop...)
Show SMILES Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(C2)c2ccccc2)c(F)c1
PDB

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n/an/a 0.950n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM643066
PNG
(US20240000767, Example 145)
Show SMILES COc1ccc2CN(CCc2c1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
PDB

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


TBA



Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50403755
PNG
(CHEMBL163190)
Show SMILES Cc1nc2cccc(C)n2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Show InChI InChI=1S/C23H23N3O2/c1-15-6-5-9-22-24-16(2)17(23(27)26(15)22)10-12-25-13-11-21-19(14-25)18-7-3-4-8-20(18)28-21/h3-9H,10-14H2,1-2H3
PDB

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



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2C adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)


BindingDB Entry DOI: 10.7270/Q2T72JMX
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50403742
PNG
(CHEMBL165796)
Show SMILES Cc1ccn2c(c1)nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O
Show InChI InChI=1S/C23H23N3O2/c1-15-7-12-26-22(13-15)24-16(2)17(23(26)27)8-10-25-11-9-21-19(14-25)18-5-3-4-6-20(18)28-21/h3-7,12-13H,8-11,14H2,1-2H3
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n/an/a 1.20n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2C adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)


BindingDB Entry DOI: 10.7270/Q2T72JMX
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM643033
PNG
(US20240000767, Example 112 | diamix-N-[(3,5-Difluo...)
Show SMILES C[C@@H]1CCCN(C1)C1CCN(CC1F)c1nc(co1)C(=O)NCc1ncc(F)cc1F |r|
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n/an/a 1.20n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50403739
PNG
(CHEMBL163247)
Show SMILES Cc1nc2c(Cl)cc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Show InChI InChI=1S/C22H19Cl2N3O2/c1-13-15(22(28)27-11-14(23)10-18(24)21(27)25-13)6-8-26-9-7-20-17(12-26)16-4-2-3-5-19(16)29-20/h2-5,10-11H,6-9,12H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2C adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)


BindingDB Entry DOI: 10.7270/Q2T72JMX
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM643035
PNG
(2-[(3R)-3-(Cyclopropylmethoxy)[1,4′-bipiperi...)
Show SMILES Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCC[C@H](C2)OCC2CC2)c(F)c1 |r|
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More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM643068
PNG
(US20240000767, Example 148)
Show SMILES COCCC1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
PDB

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n/an/a 1.30n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50403750
PNG
(CHEMBL351200)
Show SMILES Cc1nc2c(C)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Show InChI InChI=1S/C23H23N3O2/c1-15-6-5-11-26-22(15)24-16(2)17(23(26)27)9-12-25-13-10-21-19(14-25)18-7-3-4-8-20(18)28-21/h3-8,11H,9-10,12-14H2,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2C adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)


BindingDB Entry DOI: 10.7270/Q2T72JMX
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50403752
PNG
(CHEMBL162370)
Show SMILES Cc1ccc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2c1
Show InChI InChI=1S/C23H23N3O2/c1-15-7-8-22-24-16(2)17(23(27)26(22)13-15)9-11-25-12-10-21-19(14-25)18-5-3-4-6-20(18)28-21/h3-8,13H,9-12,14H2,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2C adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)


BindingDB Entry DOI: 10.7270/Q2T72JMX
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM642986
PNG
(2-[4-(5-Azaspiro[2.5]octan-5-yl)piperidin-1-yl]-N-...)
Show SMILES Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC3(CC3)C2)c(F)c1
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n/an/a 1.40n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50574217
PNG
(CHEMBL4866383 | US20240000767, Example 126)
Show SMILES Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(C2)OCC2CCC2)c(F)c1
PDB

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n/an/a 1.5n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM643031
PNG
(US20240000767, Example 110 | rac-2-{3-[(3,3-Difluo...)
Show SMILES Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(C2)OC2CC(F)(F)C2)c(F)c1
PDB

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n/an/a 1.5n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50403747
PNG
(CHEMBL162826)
Show SMILES Cc1nc2c(O)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Show InChI InChI=1S/C22H21N3O3/c1-14-15(22(27)25-10-4-6-18(26)21(25)23-14)8-11-24-12-9-20-17(13-24)16-5-2-3-7-19(16)28-20/h2-7,10,26H,8-9,11-13H2,1H3
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n/an/a 1.60n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2C adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)


BindingDB Entry DOI: 10.7270/Q2T72JMX
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50403744
PNG
(LUSAPERIDONE)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Show InChI InChI=1S/C22H21N3O2/c1-15-16(22(26)25-11-5-4-8-21(25)23-15)9-12-24-13-10-20-18(14-24)17-6-2-3-7-19(17)27-20/h2-8,11H,9-10,12-14H2,1H3
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n/an/a 1.70n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2C adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)


BindingDB Entry DOI: 10.7270/Q2T72JMX
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM643067
PNG
(US20240000767, Example 146)
Show SMILES Cc1ccc2CN(CCc2c1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
PDB

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n/an/a 1.72n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM643065
PNG
(US20240000767, Example 144)
Show SMILES Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCc3cccc(F)c3C2)c(F)c1
PDB

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


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Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM642987
PNG
(US20240000767, Example 131 | US20240000767, Exampl...)
Show SMILES Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC3(CC3(F)F)C2)c(F)c1
PDB

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n/an/a 1.90n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM642989
PNG
(US20240000767, Example 67 | rac-2-[3-(Cyclopropylm...)
Show SMILES Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(C2)OCC2CC2)c(F)c1
PDB

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


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Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50403754
PNG
(CHEMBL164612)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3c(Cl)cccc3c2C1
Show InChI InChI=1S/C22H20ClN3O2/c1-14-15(22(27)26-10-3-2-7-20(26)24-14)8-11-25-12-9-19-17(13-25)16-5-4-6-18(23)21(16)28-19/h2-7,10H,8-9,11-13H2,1H3
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n/an/a 2.20n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2C adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)


BindingDB Entry DOI: 10.7270/Q2T72JMX
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50574215
PNG
(CHEMBL4878875 | US20240000767, Example 102)
Show SMILES Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(COC3CCC3)C2)c(F)c1
PDB

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n/an/a 2.30n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
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