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Compile Data Set for Download or QSAR

Found 1088 hits of ki data for polymerid = 49000219,49000234,49000235,49000237,49000238   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ADRA2C


(OK)
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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0.0300n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 259: 323-9 (1991)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
ADRA2C


(OK)
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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0.0400n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 259: 323-9 (1991)

More data for this
Ligand-Target Pair
ADRA2C


(OK)
BDBM81806
PNG
(2-(4,5-dihydro-1h-imidazol-2-yl)-2,3-dihydro-1-(2-...)
Show SMILES C=CCn1c(cc2ccccc12)C1=NCCN1
Show InChI InChI=1S/C14H15N3/c1-2-9-17-12-6-4-3-5-11(12)10-13(17)14-15-7-8-16-14/h2-6,10H,1,7-9H2,(H,15,16)
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0.0500n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 259: 323-9 (1991)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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




Biochem Pharmacol 55: 1035-43 (1998)

More data for this
Ligand-Target Pair
ADRA2C


(OK)
BDBM81804
PNG
(4-chloro-2-(2-imidazolin-2-ylamino)isoindoline | B...)
Show SMILES Clc1cccc2CN(Cc12)N=C1NCCN1
Show InChI InChI=1S/C11H13ClN4/c12-10-3-1-2-8-6-16(7-9(8)10)15-11-13-4-5-14-11/h1-3H,4-7H2,(H2,13,14,15)
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0.0800n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 259: 323-9 (1991)

More data for this
Ligand-Target Pair
ADRA2C


(OPOSSUM)
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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0.0800n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 259: 323-9 (1991)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Bioorg Med Chem Lett 13: 2719-25 (2003)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
ADRA2C


(OK)
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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0.120n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




Mol Pharmacol 42: 1-5 (1992)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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




Mol Pharmacol 42: 1-5 (1992)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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




Mol Pharmacol 42: 1-5 (1992)

More data for this
Ligand-Target Pair
ADRA2C


(OK)
BDBM81815
PNG
(CAS_196343 | L-654,284 | NSC_196343)
Show SMILES CCOc1ccc(CC(NC(=O)CC2(S)CCCCC2)C(=O)NC(Cc2ccccc2)C(=O)NC(C(C)C)C(=O)NC(CC(N)=O)C(=O)NC(C=S)C(=O)NC(CCCCN)C(N)=O)cc1
Show InChI InChI=1S/C46H67N9O9S2/c1-4-64-31-18-16-30(17-19-31)24-33(50-38(57)26-46(66)20-10-6-11-21-46)41(59)52-34(23-29-13-7-5-8-14-29)43(61)55-39(28(2)3)45(63)53-35(25-37(48)56)42(60)54-36(27-65)44(62)51-32(40(49)58)15-9-12-22-47/h5,7-8,13-14,16-19,27-28,32-36,39,66H,4,6,9-12,15,20-26,47H2,1-3H3,(H2,48,56)(H2,49,58)(H,50,57)(H,51,62)(H,52,59)(H,53,63)(H,54,60)(H,55,61)
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0.140n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 259: 323-9 (1991)

More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
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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0.159n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
ADRA2C


(OK)
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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0.180n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 259: 323-9 (1991)

More data for this
Ligand-Target Pair
ADRA2C


(OK)
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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0.190n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




Mol Pharmacol 42: 1-5 (1992)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Bioorg Med Chem Lett 13: 2719-25 (2003)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Bioorg Med Chem Lett 13: 2719-25 (2003)

More data for this
Ligand-Target Pair
ADRA2C


(OK)
BDBM81803
PNG
(CAS_125992 | NSC_125992 | RX 811033)
Show SMILES CCOC1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1S/C13H16N2O3/c1-2-17-13(12-14-7-8-15-12)9-16-10-5-3-4-6-11(10)18-13/h3-6H,2,7-9H2,1H3,(H,14,15)
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0.240n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 259: 323-9 (1991)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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




Citation and Details
More data for this
Ligand-Target Pair
ADRA2C


(OK)
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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0.260n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




Mol Pharmacol 42: 1-5 (1992)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
ADRA2C


(OK)
BDBM81444
PNG
(CAS_185453 | NSC_185453 | 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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0.270n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 259: 323-9 (1991)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
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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0.280n/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
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
ADRA2C


(OK)
BDBM30993
PNG
(Ajmalicine | MLS000111555 | Raubasine | SMR0001074...)
Show SMILES COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5ccccc45)C3CC12
Show InChI InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




J Pharmacol Exp Ther 259: 323-9 (1991)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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




Mol Pharmacol 42: 1-5 (1992)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.320n/an/an/an/an/an/an/an/a



University of California

Curated by PDSP Ki Database




J Pharmacol Exp Ther 241: 1092-8 (1987)

More data for this
Ligand-Target Pair
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