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Compile Data Set for Download or QSAR

Found 957 hits for UniProtKB: Q4W594   
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))
BDBM50163477
PNG
((3R,3aS)-7-(2-Methoxy-ethoxy)-3-[4-((E)-2-methyl-3...)
Show SMILES COCCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1
Show InChI InChI=1S/C28H35N3O4/c1-21(16-22-6-4-3-5-7-22)18-30-10-12-31(13-11-30)19-27-25-20-34-26-17-23(33-15-14-32-2)8-9-24(26)28(25)29-35-27/h3-9,16-17,25,27H,10-15,18-20H2,1-2H3/b21-16+/t25-,27-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)

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


(Homo sapiens (Human))
BDBM81811
PNG
(CAS_123679 | L-657,743 | MK-912 | NSC_123679)
Show SMILES CN1CCC2(CCN3CCc4c(oc5ccccc45)C3C2)N(C)C1=O
Show InChI InChI=1S/C20H25N3O2/c1-21-11-8-20(22(2)19(21)24)9-12-23-10-7-15-14-5-3-4-6-17(14)25-18(15)16(23)13-20/h3-6,16H,7-13H2,1-2H3
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0.0700n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




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


(Homo sapiens (Human))
BDBM50163479
PNG
(CHEMBL176261 | Dimethyl-(2-{(3R,3aS)-3-[4-((E)-2-m...)
Show SMILES CN(C)CCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1
Show InChI InChI=1S/C29H38N4O3/c1-22(17-23-7-5-4-6-8-23)19-32-11-13-33(14-12-32)20-28-26-21-35-27-18-24(34-16-15-31(2)3)9-10-25(27)29(26)30-36-28/h4-10,17-18,26,28H,11-16,19-21H2,1-3H3/b22-17+/t26-,28-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)

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


(Homo sapiens (Human))
BDBM50163468
PNG
((3R,3aS)-3-[4-((E)-2-Methyl-3-phenyl-allyl)-pipera...)
Show SMILES C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(O)ccc32)CC1)=C/c1ccccc1
Show InChI InChI=1S/C25H29N3O3/c1-18(13-19-5-3-2-4-6-19)15-27-9-11-28(12-10-27)16-24-22-17-30-23-14-20(29)7-8-21(23)25(22)26-31-24/h2-8,13-14,22,24,29H,9-12,15-17H2,1H3/b18-13+/t22-,24-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)

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


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


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


(Homo sapiens (Human))
BDBM50024301
PNG
(CHEMBL2112985)
Show SMILES COc1cc2NC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)

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


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]- rauwolscine binding to alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)

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


(Homo sapiens (Human))
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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0.130n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




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


(Homo sapiens (Human))
BDBM50020192
PNG
(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)
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0.130n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




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


(Homo sapiens (Human))
BDBM50417010
PNG
(CHEMBL1255723)
Show SMILES CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1
Show InChI InChI=1S/C15H16N2/c1-2-12-14-11-6-4-3-5-10(11)7-15(12,14)13-8-16-9-17-13/h3-6,8-9,12,14H,2,7H2,1H3,(H,16,17)/t12-,14-,15+/m0/s1
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0.170n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic Alpha-2C receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)

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


(Homo sapiens (Human))
BDBM50146510
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-(2-methyl-3-thiophen-3...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccsc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C25H31N3O4S/c1-17(10-18-4-9-33-16-18)13-27-5-7-28(8-6-27)14-24-20-15-31-21-12-23(30-3)22(29-2)11-19(21)25(20)26-32-24/h4,9-12,16,20,24H,5-8,13-15H2,1-3H3/b17-10+/t20-,24-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)

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


(Homo sapiens (Human))
BDBM50163491
PNG
(CHEMBL175853 | Methoxy-acetic acid (3R,3aS)-3-[4-(...)
Show SMILES COCC(=O)Oc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1
Show InChI InChI=1S/C28H33N3O5/c1-20(14-21-6-4-3-5-7-21)16-30-10-12-31(13-11-30)17-26-24-18-34-25-15-22(35-27(32)19-33-2)8-9-23(25)28(24)29-36-26/h3-9,14-15,24,26H,10-13,16-19H2,1-2H3/b20-14+/t24-,26-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)

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


(Homo sapiens (Human))
BDBM50163494
PNG
((3R,3aS)-7-Methoxy-3-[4-((E)-2-methyl-3-phenyl-all...)
Show SMILES COc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1
Show InChI InChI=1S/C26H31N3O3/c1-19(14-20-6-4-3-5-7-20)16-28-10-12-29(13-11-28)17-25-23-18-31-24-15-21(30-2)8-9-22(24)26(23)27-32-25/h3-9,14-15,23,25H,10-13,16-18H2,1-2H3/b19-14+/t23-,25-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)

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


(Homo sapiens (Human))
BDBM50131347
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(20-7-5-4-6-8-20)9-10-29-11-13-30(14-12-29)17-26-22-18-33-23-16-25(32-3)24(31-2)15-21(23)27(22)28-34-26/h4-9,15-16,22,26H,10-14,17-18H2,1-3H3/b19-9+/t22-,26-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]- rauwolscine binding to alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)

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


(Homo sapiens (Human))
BDBM50163475
PNG
((3R,3aS)-7-[2-(2-Ethoxy-ethoxy)-ethoxy]-3-[4-((E)-...)
Show SMILES CCOCCOCCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1
Show InChI InChI=1S/C31H41N3O5/c1-3-35-15-16-36-17-18-37-26-9-10-27-29(20-26)38-23-28-30(39-32-31(27)28)22-34-13-11-33(12-14-34)21-24(2)19-25-7-5-4-6-8-25/h4-10,19-20,28,30H,3,11-18,21-23H2,1-2H3/b24-19+/t28-,30-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)

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


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C-adrenergic receptor


J Med Chem 48: 2054-71 (2005)

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


(Homo sapiens (Human))
BDBM50163489
PNG
(Acetic acid (3R,3aS)-3-[4-((E)-2-methyl-3-phenyl-a...)
Show SMILES CC(=O)Oc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1
Show InChI InChI=1S/C27H31N3O4/c1-19(14-21-6-4-3-5-7-21)16-29-10-12-30(13-11-29)17-26-24-18-32-25-15-22(33-20(2)31)8-9-23(25)27(24)28-34-26/h3-9,14-15,24,26H,10-13,16-18H2,1-2H3/b19-14+/t24-,26-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)

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


(Homo sapiens (Human))
BDBM50131353
PNG
(7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl-allyl)-p...)
Show SMILES COc1cc2OCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


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


(Homo sapiens (Human))
BDBM50131347
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(20-7-5-4-6-8-20)9-10-29-11-13-30(14-12-29)17-26-22-18-33-23-16-25(32-3)24(31-2)15-21(23)27(22)28-34-26/h4-9,15-16,22,26H,10-14,17-18H2,1-3H3/b19-9+/t22-,26-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


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


(Homo sapiens (Human))
BDBM50146498
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-(2-methyl-3-thiophen-2...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccs5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C25H31N3O4S/c1-17(11-18-5-4-10-33-18)14-27-6-8-28(9-7-27)15-24-20-16-31-21-13-23(30-3)22(29-2)12-19(21)25(20)26-32-24/h4-5,10-13,20,24H,6-9,14-16H2,1-3H3/b17-11+/t20-,24-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)

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


(Homo sapiens (Human))
BDBM50146501
PNG
((3R,3aS)-3-{4-[3-(2,5-Difluoro-phenyl)-2-methyl-al...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cc(F)ccc5F)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H31F2N3O4/c1-17(10-18-11-19(28)4-5-22(18)29)14-31-6-8-32(9-7-31)15-26-21-16-35-23-13-25(34-3)24(33-2)12-20(23)27(21)30-36-26/h4-5,10-13,21,26H,6-9,14-16H2,1-3H3/b17-10+/t21-,26-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)

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


(Homo sapiens (Human))
BDBM50146502
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-(3-thiophen-2-yl-but-2...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5cccs5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C25H31N3O4S/c1-17(24-5-4-12-33-24)6-7-27-8-10-28(11-9-27)15-23-19-16-31-20-14-22(30-3)21(29-2)13-18(20)25(19)26-32-23/h4-6,12-14,19,23H,7-11,15-16H2,1-3H3/b17-6+/t19-,23-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)

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


(Homo sapiens (Human))
BDBM50131347
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-en...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(20-7-5-4-6-8-20)9-10-29-11-13-30(14-12-29)17-26-22-18-33-23-16-25(32-3)24(31-2)15-21(23)27(22)28-34-26/h4-9,15-16,22,26H,10-14,17-18H2,1-3H3/b19-9+/t22-,26-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)

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


(Homo sapiens (Human))
BDBM50146506
PNG
((3R,3aS)-3-{4-[3-(3-Fluoro-phenyl)-2-methyl-allyl]...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccc(F)c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H32FN3O4/c1-18(11-19-5-4-6-20(28)12-19)15-30-7-9-31(10-8-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-6,11-14,22,26H,7-10,15-17H2,1-3H3/b18-11+/t22-,26-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)

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


(Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)

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


(Homo sapiens (Human))
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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0.25n/an/an/an/an/an/an/an/a



Institut de Recherches Servier, Centre de Recherches de Croissy

Curated by PDSP Ki Database




Synapse 35: 79-95 (2000)

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


(Homo sapiens (Human))
BDBM50417006
PNG
(CHEMBL1256414)
Show SMILES C1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1
Show InChI InChI=1S/C13H12N2/c1-2-4-10-9(3-1)5-13(6-11(10)13)12-7-14-8-15-12/h1-4,7-8,11H,5-6H2,(H,14,15)/t11-,13+/m1/s1
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0.263n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic Alpha-2C receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)

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


(Homo sapiens (Human))
BDBM50146518
PNG
((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]rawolscine from human cloned adrenergic Alpha-2C receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)

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


(Homo sapiens (Human))
BDBM50146518
PNG
((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]rawolscine from human cloned adrenergic Alpha-2C receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)

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


(Homo sapiens (Human))
BDBM50417019
PNG
(CHEMBL1256378)
Show SMILES C[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1
Show InChI InChI=1S/C14H14N2/c1-9-13-11-5-3-2-4-10(11)6-14(9,13)12-7-15-8-16-12/h2-5,7-9,13H,6H2,1H3,(H,15,16)/t9-,13+,14+/m0/s1
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0.295n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic Alpha-2C receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)

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


(Homo sapiens (Human))
BDBM50146512
PNG
((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-but-2-enyl]-pip...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccc(F)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H32FN3O4/c1-18(19-4-6-20(28)7-5-19)8-9-30-10-12-31(13-11-30)16-26-22-17-34-23-15-25(33-3)24(32-2)14-21(23)27(22)29-35-26/h4-8,14-15,22,26H,9-13,16-17H2,1-3H3/b18-8+/t22-,26-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)

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


(Homo sapiens (Human))
BDBM50146513
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-(3-thiophen-3-yl-but-2...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccsc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C25H31N3O4S/c1-17(18-5-11-33-16-18)4-6-27-7-9-28(10-8-27)14-24-20-15-31-21-13-23(30-3)22(29-2)12-19(21)25(20)26-32-24/h4-5,11-13,16,20,24H,6-10,14-15H2,1-3H3/b17-4+/t20-,24-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)

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


(Homo sapiens (Human))
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




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


(Homo sapiens (Human))
BDBM50163483
PNG
(CHEMBL175911 | Cyclopropanecarboxylic acid (3R,3aS...)
Show SMILES C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)C4CC4)ccc32)CC1)=C/c1ccccc1
Show InChI InChI=1S/C29H33N3O4/c1-20(15-21-5-3-2-4-6-21)17-31-11-13-32(14-12-31)18-27-25-19-34-26-16-23(35-29(33)22-7-8-22)9-10-24(26)28(25)30-36-27/h2-6,9-10,15-16,22,25,27H,7-8,11-14,17-19H2,1H3/b20-15+/t25-,27-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)

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


(Homo sapiens (Human))
BDBM85709
PNG
(S18616)
Show SMILES NC1=NC2(CO1)CCc1ccccc1C2
Show InChI InChI=1S/C12H14N2O/c13-11-14-12(8-15-11)6-5-9-3-1-2-4-10(9)7-12/h1-4H,5-8H2,(H2,13,14)
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0.346n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




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


(Homo sapiens (Human))
BDBM81773
PNG
(BAM 1303 | BAM-1303 | CAS_115219-10-8)
Show SMILES CN1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13
Show InChI InChI=1S/C25H25BrN4/c1-29-14-16(15-30-11-10-27-25(30)17-6-3-2-4-7-17)12-19-18-8-5-9-21-23(18)20(13-22(19)29)24(26)28-21/h2-11,16,19,22,28H,12-15H2,1H3/t16-,19-,22-/m1/s1
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0.390n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




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


(Homo sapiens (Human))
BDBM81444
PNG
(CAS_185453 | NSC_185453 | WB 4101 | WB-4101)
Show SMILES COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccccc1
Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




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


(Homo sapiens (Human))
BDBM50146515
PNG
((3R,3aS)-7,8-Dimethoxy-3-{4-[3-(2-methoxy-phenyl)-...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5OC)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H35N3O5/c1-19(13-20-7-5-6-8-23(20)32-2)16-30-9-11-31(12-10-30)17-27-22-18-35-24-15-26(34-4)25(33-3)14-21(24)28(22)29-36-27/h5-8,13-15,22,27H,9-12,16-18H2,1-4H3/b19-13+/t22-,27-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)

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


(Homo sapiens (Human))
BDBM50146516
PNG
((3R,3aS)-3-[4-(3-Furan-2-yl-but-2-enyl)-piperazin-...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccco5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C25H31N3O5/c1-17(20-5-4-12-31-20)6-7-27-8-10-28(11-9-27)15-24-19-16-32-21-14-23(30-3)22(29-2)13-18(21)25(19)26-33-24/h4-6,12-14,19,24H,7-11,15-16H2,1-3H3/b17-6+/t19-,24-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)

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


(Homo sapiens (Human))
BDBM50020192
PNG
(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)
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0.400n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




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


(Homo sapiens (Human))
BDBM50417009
PNG
(CHEMBL1255724)
Show SMILES CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1
Show InChI InChI=1S/C16H18N2/c1-2-5-13-15-12-7-4-3-6-11(12)8-16(13,15)14-9-17-10-18-14/h3-4,6-7,9-10,13,15H,2,5,8H2,1H3,(H,17,18)/t13-,15-,16+/m0/s1
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0.437n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic Alpha-2C receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)

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


(Homo sapiens (Human))
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]RX-821002 from human adrenergic alpha2C receptor expressed in CHO cells


Eur J Med Chem 92: 221-35 (2015)

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


(Homo sapiens (Human))
BDBM50146504
PNG
((3R,3aS)-3-[4-(3-Furan-2-yl-2-methyl-allyl)-pipera...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccco5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C25H31N3O5/c1-17(11-18-5-4-10-31-18)14-27-6-8-28(9-7-27)15-24-20-16-32-21-13-23(30-3)22(29-2)12-19(21)25(20)26-33-24/h4-5,10-13,20,24H,6-9,14-16H2,1-3H3/b17-11+/t20-,24-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity to human alpha-2C adrenergic receptor


Bioorg Med Chem Lett 14: 2917-22 (2004)

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


(Homo sapiens (Human))
BDBM50263671
PNG
(2-(tert-butylamino)-N-(2-(4-((2,3-dihydrobenzo[b][...)
Show SMILES CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H37N5O3/c1-26(2,3)29-24-21(8-6-11-27-24)25(32)28-12-15-30-13-7-14-31(17-16-30)18-20-19-33-22-9-4-5-10-23(22)34-20/h4-6,8-11,20H,7,12-19H2,1-3H3,(H,27,29)(H,28,32)
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0.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 18: 5689-93 (2008)

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


(Homo sapiens (Human))
BDBM50131359
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-allyl)-p...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H31N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25H,10-14,17-18H2,1-2H3/b9-6+/t21-,25-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]- rauwolscine binding to alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)

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


(Homo sapiens (Human))
BDBM50163487
PNG
(Acrylic acid (3R,3aS)-3-[4-((E)-2-methyl-3-phenyl-...)
Show SMILES C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)C=C)ccc32)CC1)=C/c1ccccc1
Show InChI InChI=1S/C28H31N3O4/c1-3-27(32)34-22-9-10-23-25(16-22)33-19-24-26(35-29-28(23)24)18-31-13-11-30(12-14-31)17-20(2)15-21-7-5-4-6-8-21/h3-10,15-16,24,26H,1,11-14,17-19H2,2H3/b20-15+/t24-,26-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)

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


(Homo sapiens (Human))
BDBM50163498
PNG
((3R,3aS)-7-Cyclopentyloxy-3-[4-((E)-2-methyl-3-phe...)
Show SMILES C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC4CCCC4)ccc32)CC1)=C/c1ccccc1
Show InChI InChI=1S/C30H37N3O3/c1-22(17-23-7-3-2-4-8-23)19-32-13-15-33(16-14-32)20-29-27-21-34-28-18-25(35-24-9-5-6-10-24)11-12-26(28)30(27)31-36-29/h2-4,7-8,11-12,17-18,24,27,29H,5-6,9-10,13-16,19-21H2,1H3/b22-17+/t27-,29-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)

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


(Homo sapiens (Human))
BDBM50163474
PNG
(CHEMBL425324 | Isonicotinic acid (3R,3aS)-3-[4-((E...)
Show SMILES C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)c4ccncc4)ccc32)CC1)=C/c1ccccc1
Show InChI InChI=1S/C31H32N4O4/c1-22(17-23-5-3-2-4-6-23)19-34-13-15-35(16-14-34)20-29-27-21-37-28-18-25(7-8-26(28)30(27)33-39-29)38-31(36)24-9-11-32-12-10-24/h2-12,17-18,27,29H,13-16,19-21H2,1H3/b22-17+/t27-,29-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)

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


(Homo sapiens (Human))
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human recombinant alpha2C adrenoceptor expressed in CHO cells


J Med Chem 57: 4543-57 (2014)

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


(Homo sapiens (Human))
BDBM50417020
PNG
(CHEMBL1256609)
Show SMILES C[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1
Show InChI InChI=1S/C14H14N2/c1-9-10-4-2-3-5-11(10)12-6-14(9,12)13-7-15-8-16-13/h2-5,7-9,12H,6H2,1H3,(H,15,16)/t9-,12+,14+/m0/s1
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0.537n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic Alpha-2C receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)

More data for this
Ligand-Target Pair
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