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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50046176   
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))
BDBM50001922
PNG
(2-Naphthalen-1-ylmethyl-4,5-dihydro-1H-imidazole; ...)
Show SMILES C(C1=NCCN1)c1cccc2ccccc12 |t:1|
Show InChI InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)
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PubMed
2.30n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097712
PNG
(CHEMBL3590203)
Show SMILES NCCc1ccccc1-c1cccc(c1)C#N
Show InChI InChI=1S/C37H50FN7O5S/c1-3-4-5-6-7-8-9-10-11-12-18-42(2)33(47)25-45-23-30(35(49)41-37(45)51-27-28-13-15-31(38)16-14-28)20-29-21-40-36(50)44(22-29)26-34(48)43-19-17-39-32(46)24-43/h13-16,21-23H,3-12,17-20,24-27H2,1-2H3,(H,39,46)
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12n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097711
PNG
(CHEMBL3588902)
Show SMILES Cc1ccccc1NCc1cnc[nH]1
Show InChI InChI=1S/C33H42FN7O5S/c1-3-4-5-6-7-8-14-38(2)29(43)21-41-19-26(31(45)37-33(41)47-23-24-9-11-27(34)12-10-24)16-25-17-36-32(46)40(18-25)22-30(44)39-15-13-35-28(42)20-39/h9-12,17-19H,3-8,13-16,20-23H2,1-2H3,(H,35,42)
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72n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
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83n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097721
PNG
(CHEMBL1879790 | EN300-11843)
Show SMILES CN1CCN(CC1)c1ccccc1N
Show InChI InChI=1S/C29H38FN5O3S/c1-4-6-7-8-9-10-15-33(3)26(36)20-35-19-24(16-23-17-31-28(38)34(5-2)18-23)27(37)32-29(35)39-21-22-11-13-25(30)14-12-22/h11-14,17-19H,4-10,15-16,20-21H2,1-3H3
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240n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097708
PNG
(CHEMBL3588903)
Show SMILES Cc1ccccc1NCc1ccncc1
Show InChI InChI=1S/C27H34FN5O3S/c1-3-4-5-6-7-8-13-32(2)24(34)18-33-17-22(14-21-15-29-26(36)30-16-21)25(35)31-27(33)37-19-20-9-11-23(28)12-10-20/h9-12,15-17H,3-8,13-14,18-19H2,1-2H3,(H,29,30,36)
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537n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097722
PNG
(CHEMBL129399)
Show SMILES CN1CCN(CC1)c1cccc(N)c1
Show InChI InChI=1S/C29H36FN5O5S/c1-3-4-5-6-7-8-13-33(2)25(36)18-35-17-23(14-22-15-31-28(40)34(16-22)19-26(37)38)27(39)32-29(35)41-20-21-9-11-24(30)12-10-21/h9-12,15-17H,3-8,13-14,18-20H2,1-2H3,(H,37,38)
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562n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50421231
PNG
(CHEMBL2087646)
Show SMILES NCCSc1nc2ccccc2o1
Show InChI InChI=1S/C9H10N2OS/c10-5-6-13-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6,10H2
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646n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097707
PNG
(CHEMBL3588904)
Show SMILES C(Nc1ccccc1-c1cccnc1)c1ccncc1
Show InChI InChI=1S/C31H42FN5O3S/c1-3-4-5-6-7-8-9-10-11-12-17-36(2)28(38)22-37-21-26(18-25-19-33-30(40)34-20-25)29(39)35-31(37)41-23-24-13-15-27(32)16-14-24/h13-16,19-21H,3-12,17-18,22-23H2,1-2H3,(H,33,34,40)
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1.07E+3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50307216
PNG
(1-(3-Bromobenzyl)-1H-imidazole | CHEMBL598391)
Show SMILES Brc1cccc(Cn2ccnc2)c1
Show InChI InChI=1S/C10H9BrN2/c11-10-3-1-2-9(6-10)7-13-5-4-12-8-13/h1-6,8H,7H2
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1.18E+3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50106345
PNG
(4-(4-Methyl-piperazin-1-yl)-phenylamine | CHEMBL34...)
Show SMILES CN1CCN(CC1)c1ccc(N)cc1
Show InChI InChI=1S/C11H17N3/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3
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1.51E+3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097719
PNG
(CHEMBL3588905)
Show SMILES C(NCc1cccnc1)c1c[nH]c(n1)-c1ccccc1
Show InChI InChI=1S/C34H40FN5O3S/c1-3-4-5-6-7-11-18-39(2)31(41)23-40-22-29(32(42)38-34(40)44-25-27-14-16-30(35)17-15-27)19-28-20-36-33(37-21-28)43-24-26-12-9-8-10-13-26/h8-10,12-17,20-22H,3-7,11,18-19,23-25H2,1-2H3
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5.25E+3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097718
PNG
(CHEMBL3588906)
Show SMILES CCNCC(=O)N1CCn2cccc2C1c1cccc(Cl)c1
Show InChI InChI=1S/C34H47FN6O4S/c1-4-5-6-7-8-9-10-11-12-13-18-39(3)31(43)24-41-22-28(19-27-20-37-33(45)40(21-27)23-30(42)36-2)32(44)38-34(41)46-25-26-14-16-29(35)17-15-26/h14-17,20-22H,4-13,18-19,23-25H2,1-3H3,(H,36,42)
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7.24E+3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097717
PNG
(CHEMBL3588907)
Show SMILES NCCCN(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H44FN5O3S/c1-4-5-6-7-8-9-10-11-12-13-18-36(2)29(39)23-38-22-27(19-26-20-34-31(41)37(3)21-26)30(40)35-32(38)42-24-25-14-16-28(33)17-15-25/h14-17,20-22H,4-13,18-19,23-24H2,1-3H3
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8.32E+3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097716
PNG
(CHEMBL3588908)
Show SMILES COc1ccccc1OCC1CNCCO1
Show InChI InChI=1S/C32H43FN6O4S/c1-4-6-7-8-9-10-16-37(3)29(41)22-39-20-26(30(42)36-32(39)44-23-24-11-13-27(33)14-12-24)17-25-18-35-31(43)38(19-25)21-28(40)34-15-5-2/h11-14,18-20H,4-10,15-17,21-23H2,1-3H3,(H,34,40)
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1.05E+4n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097720
PNG
(CHEMBL3588912)
Show SMILES COc1ccc(cc1)C1NCCCn2cccc12
Show InChI InChI=1S/C30H39FN6O4S/c1-4-5-6-7-8-9-14-35(3)27(39)20-37-18-24(15-23-16-33-29(41)36(17-23)19-26(38)32-2)28(40)34-30(37)42-21-22-10-12-25(31)13-11-22/h10-13,16-18H,4-9,14-15,19-21H2,1-3H3,(H,32,38)
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1.38E+4n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50051838
PNG
(CHEMBL1327)
Show SMILES OC(Cn1ccnc1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2
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1.51E+4n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097714
PNG
(CHEMBL3588910)
Show SMILES O=C(CCC1CCCC1)N1CCSC11CCNCC1
Show InChI InChI=1S/C28H36FN5O3S/c1-4-5-6-7-8-9-14-32(2)25(35)19-34-18-23(15-22-16-30-27(37)33(3)17-22)26(36)31-28(34)38-20-21-10-12-24(29)13-11-21/h10-13,16-18H,4-9,14-15,19-20H2,1-3H3
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1.55E+4n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097715
PNG
(CHEMBL3588909)
Show SMILES NCC(=O)Nc1ccccc1Oc1ccccc1
Show InChI InChI=1S/C31H41FN6O5S/c1-3-4-5-6-7-8-14-36(2)28(41)21-38-19-25(29(42)35-31(38)44-22-23-9-11-26(32)12-10-23)16-24-17-34-30(43)37(18-24)20-27(40)33-13-15-39/h9-12,17-19,39H,3-8,13-16,20-22H2,1-2H3,(H,33,40)
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1.55E+4n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097713
PNG
(CHEMBL3588911)
Show SMILES CC(C)NCc1nccn1Cc1ccccc1C
Show InChI InChI=1S/C35H48FN5O5S/c1-4-6-7-8-9-10-11-12-13-14-19-39(3)31(42)24-41-23-29(20-28-21-37-34(45)40(22-28)25-32(43)46-5-2)33(44)38-35(41)47-26-27-15-17-30(36)18-16-27/h15-18,21-23H,4-14,19-20,24-26H2,1-3H3
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Article
PubMed
2.24E+4n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair