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Compile Data Set for Download or QSAR

Found 51 hits of ic50 data for complexid = 50000720   
Target/Host
(Institution)
LigandTarget/Host
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
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50001922
PNG
(2-Naphthalen-1-ylmethyl-4,5-dihydro-1H-imidazole; ...)
Show SMILES C(C1=NCCN1)c1cccc2ccccc12
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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n/an/a 0.00110n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was evaluated for Adrenergic activity against Alpha-2 adrenergic receptor in human platelets


J Med Chem 35: 750-5 (1992)


Article DOI: 10.1021/jm00082a017
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50230389
PNG
(CHEMBL541105)
Show SMILES Cl.CC(c1c[nH]cn1)c1cccc2ccccc12
Show InChI InChI=1S/C15H14N2.ClH/c1-11(15-9-16-10-17-15)13-8-4-6-12-5-2-3-7-14(12)13;/h2-11H,1H3,(H,16,17);1H
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n/an/a 0.00340n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was tested for Adrenergic activity against Alpha-2 adrenergic receptor from rat aorta


J Med Chem 35: 750-5 (1992)


Article DOI: 10.1021/jm00082a017
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50230393
PNG
(CHEMBL553231)
Show SMILES Cl.CC(C1=NCCN1)c1cccc2ccccc12
Show InChI InChI=1S/C15H16N2.ClH/c1-11(15-16-9-10-17-15)13-8-4-6-12-5-2-3-7-14(12)13;/h2-8,11H,9-10H2,1H3,(H,16,17);1H
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n/an/a 0.0140n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was evaluated for Adrenergic activity against Alpha-2 adrenergic receptor in human platelets


J Med Chem 35: 750-5 (1992)


Article DOI: 10.1021/jm00082a017
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50230395
PNG
(CHEMBL557985)
Show SMILES Cl.CC(C1=NCCN1)c1ccc2ccccc2c1
Show InChI InChI=1S/C15H16N2.ClH/c1-11(15-16-8-9-17-15)13-7-6-12-4-2-3-5-14(12)10-13;/h2-7,10-11H,8-9H2,1H3,(H,16,17);1H
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n/an/a 0.0160n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was evaluated for Adrenergic activity against Alpha-2 adrenergic receptor in human platelets


J Med Chem 35: 750-5 (1992)


Article DOI: 10.1021/jm00082a017
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50230388
PNG
(CHEMBL537830)
Show SMILES Cl.C(c1ncc[nH]1)c1cccc2ccccc12
Show InChI InChI=1S/C14H12N2.ClH/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;/h1-9H,10H2,(H,15,16);1H
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n/an/a 0.0340n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was evaluated for Adrenergic activity against Alpha-2 adrenergic receptor in human platelets


J Med Chem 35: 750-5 (1992)


Article DOI: 10.1021/jm00082a017
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50230394
PNG
(CHEMBL538801)
Show SMILES Cl.CC(c1c[nH]cn1)c1ccc2ccccc2c1
Show InChI InChI=1S/C15H14N2.ClH/c1-11(15-9-16-10-17-15)13-7-6-12-4-2-3-5-14(12)8-13;/h2-11H,1H3,(H,16,17);1H
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n/an/a 0.120n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was evaluated for Adrenergic activity against Alpha-2 adrenergic receptor in human platelets


J Med Chem 35: 750-5 (1992)


Article DOI: 10.1021/jm00082a017
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50230392
PNG
(CHEMBL554581)
Show SMILES Cl.CC(c1ncc[nH]1)c1cccc2ccccc12
Show InChI InChI=1S/C15H14N2.ClH/c1-11(15-16-9-10-17-15)13-8-4-6-12-5-2-3-7-14(12)13;/h2-11H,1H3,(H,16,17);1H
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n/an/a 0.260n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was evaluated for Adrenergic activity against Alpha-2 adrenergic receptor in human platelets


J Med Chem 35: 750-5 (1992)


Article DOI: 10.1021/jm00082a017
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50230391
PNG
(CHEMBL164540)
Show SMILES OC(=O)C(O)=O.CC(c1ncc[nH]1)c1ccc2ccccc2c1
Show InChI InChI=1S/C15H14N2.C2H2O4/c1-11(15-16-8-9-17-15)13-7-6-12-4-2-3-5-14(12)10-13;3-1(4)2(5)6/h2-11H,1H3,(H,16,17);(H,3,4)(H,5,6)
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n/an/a 0.610n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was evaluated for Adrenergic activity against Alpha-2 adrenergic receptor in human platelets


J Med Chem 35: 750-5 (1992)


Article DOI: 10.1021/jm00082a017
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50021809
PNG
((2,6-Dichloro-4-iodo-phenyl)-(4,5-dihydro-1H-imida...)
Show SMILES Clc1cc(I)cc(Cl)c1N=C1NCCN1
Show InChI InChI=1S/C9H8Cl2IN3/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2H2,(H2,13,14,15)
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n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]p-aminoclonidine (PAC) binding to alpha-2 adrenergic receptor of purified human platelet plasma membranes


J Med Chem 30: 1241-4 (1987)


Article DOI: 10.1021/jm00390a021
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM34572
PNG
(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]p-aminoclonidine (PAC) binding to alpha-2 adrenergic receptor of purified human platelet plasma membranes


J Med Chem 30: 1241-4 (1987)


Article DOI: 10.1021/jm00390a021
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50021812
PNG
(2,6-Dichloro-N-imidazolidin-2-ylidene-benzene-1,4-...)
Show SMILES Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1
Show InChI InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]p-aminoclonidine (PAC) binding to alpha-2 adrenergic receptor of purified human platelet plasma membranes


J Med Chem 30: 1241-4 (1987)


Article DOI: 10.1021/jm00390a021
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(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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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]p-aminoclonidine (PAC) binding to alpha-2 adrenergic receptor of purified human platelet plasma membranes


J Med Chem 30: 1241-4 (1987)


Article DOI: 10.1021/jm00390a021
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50029050
PNG
((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]p-aminoclonidine (PAC) binding to alpha-2 adrenergic receptor of purified human platelet plasma membranes


J Med Chem 30: 1241-4 (1987)


Article DOI: 10.1021/jm00390a021
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50225285
PNG
(CHEBI:3757 | CLONIDINE | Catapres | Catapres-Tts-1...)
Show SMILES Clc1cccc(Cl)c1NC1=NCCN1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]p-aminoclonidine (PAC) binding to alpha-2 adrenergic receptor of purified human platelet plasma membranes


J Med Chem 30: 1241-4 (1987)


Article DOI: 10.1021/jm00390a021
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(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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n/an/a 170n/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for the displacement of [3H]yohimbine in acetonitrile/acetic acid anti-corynanthine MIPs for Alpha-2 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50151930
PNG
(3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-buty...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C24H28N4O3/c25-24(29)17-4-6-21-20(13-17)18(15-26-21)3-1-2-8-27-9-11-28(12-10-27)19-5-7-22-23(14-19)31-16-30-22/h4-7,13-15,26H,1-3,8-12,16H2,(H2,25,29)
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n/an/a 900n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50228237
PNG
(CHEMBL554455)
Show SMILES Cl.CO\C(O)=C1\C(C(C(=O)OCCN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H31N3O8.ClH/c1-17-24(27(32)36-4)26(19-8-7-9-20(14-19)31(34)35)25(18(2)29-17)28(33)37-13-12-30(3)15-21-16-38-22-10-5-6-11-23(22)39-21;/h5-11,14,21,26,32H,12-13,15-16H2,1-4H3;1H/b27-24+;
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n/an/a>1.00E+3n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
In vitro ability to inhibit norepinephrine binding to alpha-2 adrenergic receptor of guinea pig vas deferens


J Med Chem 32: 1402-7 (1989)


Article DOI: 10.1021/jm00126a042
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50228241
PNG
(CHEMBL540511)
Show SMILES Cl.CC(C)O\C(O)=C1\C(C(C(=O)OCCN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C30H35N3O8.ClH/c1-18(2)40-30(35)27-20(4)31-19(3)26(28(27)21-9-8-10-22(15-21)33(36)37)29(34)38-14-13-32(5)16-23-17-39-24-11-6-7-12-25(24)41-23;/h6-12,15,18,23,28,35H,13-14,16-17H2,1-5H3;1H/b30-27+;
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n/an/a>1.00E+3n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-2-adrenolytic activity was assessed in vitro from the ability to inhibit norepinephrine binding to guinea pig vas deferens


J Med Chem 32: 1402-7 (1989)


Article DOI: 10.1021/jm00126a042
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50005127
PNG
(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50228238
PNG
(CHEMBL30911)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCCN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C28H31N3O8/c1-17-24(27(32)36-4)26(20-9-5-6-10-21(20)31(34)35)25(18(2)29-17)28(33)37-14-13-30(3)15-19-16-38-22-11-7-8-12-23(22)39-19/h5-12,19,26,32H,13-16H2,1-4H3/b27-24+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
In vitro ability to inhibit norepinephrine binding to alpha-2 adrenergic receptor of guinea pig vas deferens


J Med Chem 32: 1402-7 (1989)


Article DOI: 10.1021/jm00126a042
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(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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n/an/a 1.80E+3n/an/an/an/a5.0n/a


TBA

Assay Description
Alpha-2 adrenergic receptor binding activity was determined by displacement of [3H]yohimbine in 50 mM phosphate buffer pH 5.0/Tween 20 where the poly...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50226861
PNG
(CHEMBL22073)
Show SMILES Clc1cc(cc(Cl)c1NC1=NCCN1)N=NN1CCCC1
Show InChI InChI=1S/C13H16Cl2N6/c14-10-7-9(19-20-21-5-1-2-6-21)8-11(15)12(10)18-13-16-3-4-17-13/h7-8H,1-6H2,(H2,16,17,18)
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]p-aminoclonidine (PAC) binding to alpha-2 adrenergic receptor of purified human platelet plasma membranes


J Med Chem 30: 1241-4 (1987)


Article DOI: 10.1021/jm00390a021
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50151946
PNG
(3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
Show InChI InChI=1S/C24H30N4O2/c1-30-21-8-6-20(7-9-21)28-14-12-27(13-15-28)11-3-2-4-19-17-26-23-10-5-18(24(25)29)16-22(19)23/h5-10,16-17,26H,2-4,11-15H2,1H3,(H2,25,29)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50230390
PNG
(CHEBI:48556 | MEDETOMIDINE HYDROCHLORIDE | MPV-785...)
Show SMILES Cl.CC(c1c[nH]cn1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H
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n/an/a 3.30E+3n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was evaluated for Adrenergic activity in Alpha-2 adrenergic receptor of human platelets


J Med Chem 35: 750-5 (1992)


Article DOI: 10.1021/jm00082a017
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required for inhibition of alpha-2 adrenergic receptor


Bioorg Med Chem Lett 14: 5509-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.005
BindingDB Entry DOI: 10.7270/Q2NV9K0K
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha-2 receptor


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50151935
PNG
(5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(OC)cc23)CC1
Show InChI InChI=1S/C24H31N3O2/c1-28-21-8-6-20(7-9-21)27-15-13-26(14-16-27)12-4-3-5-19-18-25-24-11-10-22(29-2)17-23(19)24/h6-11,17-18,25H,3-5,12-16H2,1-2H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50009073
PNG
(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against Alpha-2 adrenergic receptor


Bioorg Med Chem Lett 5: 1377-1382 (1995)


Article DOI: 10.1016/0960-894X(95)00227-K
BindingDB Entry DOI: 10.7270/Q2M045D5
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50284690
PNG
(1-(4-{3-[(E)-2-(5-Fluoro-benzothiazol-2-yl)-vinyl]...)
Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1
Show InChI InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3/b12-5+
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against Alpha-2 adrenergic receptor


Bioorg Med Chem Lett 5: 1377-1382 (1995)


Article DOI: 10.1016/0960-894X(95)00227-K
BindingDB Entry DOI: 10.7270/Q2M045D5
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50284689
PNG
(7-Chloro-2-((E)-2-{3-[4-(2-methyl-imidazo[4,5-c]py...)
Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2)cc1
Show InChI InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3/b9-5+
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against Alpha-2 adrenergic receptor


Bioorg Med Chem Lett 5: 1377-1382 (1995)


Article DOI: 10.1016/0960-894X(95)00227-K
BindingDB Entry DOI: 10.7270/Q2M045D5
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50101815
PNG
(CHEBI:7550 | NICARDIPINE | Nicardipine)
Show SMILES COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)Cc1ccccc1
Show InChI InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-2-adrenolytic activity was assessed in vitro from the ability to inhibit norepinephrine binding to guinea pig vas deferens


J Med Chem 32: 1402-7 (1989)


Article DOI: 10.1021/jm00126a042
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50228239
PNG
(CHEMBL2093965)
Show SMILES Cl.CO\C(O)=C1\[C@@H](C(C(=O)OCCN(C)C[C@@H]2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H31N3O8.ClH/c1-17-24(27(32)36-4)26(19-8-7-9-20(14-19)31(34)35)25(18(2)29-17)28(33)37-13-12-30(3)15-21-16-38-22-10-5-6-11-23(22)39-21;/h5-11,14,21,26,32H,12-13,15-16H2,1-4H3;1H/b27-24+;/t21-,26+;/m1./s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-2-adrenolytic activity was assessed in vitro from the ability to inhibit norepinephrine binding to guinea pig vas deferens


J Med Chem 32: 1402-7 (1989)


Article DOI: 10.1021/jm00126a042
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50181840
PNG
((1R,7aS)-hexahydro-1H-pyrrolizin-1-ylmethyl 1-Meth...)
Show SMILES O=C(OC[C@@H]1CCN2CCC[C@@H]12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H20N2O2/c20-17(14-10-18-15-5-2-1-4-13(14)15)21-11-12-7-9-19-8-3-6-16(12)19/h1-2,4-5,10,12,16,18H,3,6-9,11H2/t12-,16-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha-2 receptor


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50181836
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C2CC3CN(CC13)C2
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha-2 receptor


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50181837
PNG
((1S,7aR)-hexahydro-1H-pyrrolizin-1-ylmethyl 1-meth...)
Show SMILES Cn1nc(C(=O)OC[C@@H]2CCN3CCC[C@@H]23)c2ccccc12
Show InChI InChI=1S/C17H21N3O2/c1-19-15-6-3-2-5-13(15)16(18-19)17(21)22-11-12-8-10-20-9-4-7-14(12)20/h2-3,5-6,12,14H,4,7-11H2,1H3/t12-,14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha-2 receptor


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50181841
PNG
((1S,7aR)-hexahydro-1H-pyrrolizin-1-ylmethyl 1H-ind...)
Show SMILES O=C(OC[C@@H]1CCN2CCC[C@@H]12)c1[nH]nc2ccccc12
Show InChI InChI=1S/C16H19N3O2/c20-16(15-12-4-1-2-5-13(12)17-18-15)21-10-11-7-9-19-8-3-6-14(11)19/h1-2,4-5,11,14H,3,6-10H2,(H,17,18)/t11-,14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha-2 receptor


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50181839
PNG
(CHEMBL202434 | N-exo-((4S,7alphaS)-tetrahydro-1H-p...)
Show SMILES Clc1cc(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2nccn2c1
Show InChI InChI=1S/C16H19ClN4O/c17-12-8-13(15-18-4-7-21(15)10-12)16(22)19-9-11-3-6-20-5-1-2-14(11)20/h4,7-8,10-11,14H,1-3,5-6,9H2,(H,19,22)/t11-,14-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha-2 receptor


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50005833
PNG
((exo)4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12
Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha-2 receptor


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50155152
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.1*3,7*]dec-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CC1CN(C3)C2
Show InChI InChI=1S/C17H22ClN3O2/c1-23-15-5-14(19)13(18)4-12(15)17(22)20-16-10-2-9-3-11(16)8-21(6-9)7-10/h4-5,9-11,16H,2-3,6-8,19H2,1H3,(H,20,22)/t9?,10?,11?,16-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required for inhibition of alpha-2 adrenergic receptor


Bioorg Med Chem Lett 14: 5509-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.005
BindingDB Entry DOI: 10.7270/Q2NV9K0K
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50155153
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.1*3,7*]dec-4-ylmet...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1C2CC3CC1CN(C3)C2
Show InChI InChI=1S/C18H24ClN3O2/c1-24-17-5-16(20)15(19)4-13(17)18(23)21-6-14-11-2-10-3-12(14)9-22(7-10)8-11/h4-5,10-12,14H,2-3,6-9,20H2,1H3,(H,21,23)/t10?,11?,12?,14-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required for inhibition of alpha-2 adrenergic receptor


Bioorg Med Chem Lett 14: 5509-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.005
BindingDB Entry DOI: 10.7270/Q2NV9K0K
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50181836
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C2CC3CN(CC13)C2
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required for inhibition of alpha-2 adrenergic receptor


Bioorg Med Chem Lett 14: 5509-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.005
BindingDB Entry DOI: 10.7270/Q2NV9K0K
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50226860
PNG
(CHEMBL21734)
Show SMILES [O-][N+](=O)c1cc(Cl)c(N=C2NCCN2)c(Cl)c1
Show InChI InChI=1S/C9H8Cl2N4O2/c10-6-3-5(15(16)17)4-7(11)8(6)14-9-12-1-2-13-9/h3-4H,1-2H2,(H2,12,13,14)
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]p-aminoclonidine (PAC) binding to alpha-2 adrenergic receptor of purified human platelet plasma membranes


J Med Chem 30: 1241-4 (1987)


Article DOI: 10.1021/jm00390a021
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50228236
PNG
(CHEMBL3350238)
Show SMILES Cl.COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)C[C@H]1COc2ccccc2O1
Show InChI InChI=1S/C28H31N3O8.ClH/c1-17-24(27(32)36-4)26(19-8-7-9-20(14-19)31(34)35)25(18(2)29-17)28(33)37-13-12-30(3)15-21-16-38-22-10-5-6-11-23(22)39-21;/h5-11,14,21,26,29H,12-13,15-16H2,1-4H3;1H/t21-,26+;/m0./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
In vitro ability to inhibit norepinephrine binding to alpha-2 adrenergic receptor of guinea pig vas deferens


J Med Chem 32: 1402-7 (1989)


Article DOI: 10.1021/jm00126a042
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50228235
PNG
(CHEMBL554235)
Show SMILES Cl.CO\C(O)=C1\C(C(C(=O)OCCN(C)C(C2CCCCC2)c2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C32H39N3O6.ClH/c1-21-27(31(36)40-4)29(25-16-11-17-26(20-25)35(38)39)28(22(2)33-21)32(37)41-19-18-34(3)30(23-12-7-5-8-13-23)24-14-9-6-10-15-24;/h5,7-8,11-13,16-17,20,24,29-30,36H,6,9-10,14-15,18-19H2,1-4H3;1H/b31-27+;
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
In vitro ability to inhibit norepinephrine binding to alpha-2 adrenergic receptor of guinea pig vas deferens


J Med Chem 32: 1402-7 (1989)


Article DOI: 10.1021/jm00126a042
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(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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n/an/a 1.95E+5n/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for the displacement of [3H]yohimbine in acetonitrile/acetic acid where the polymer is anti-yohimbin MIPs for Alpha-2 adrenerg...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50027058
PNG
((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
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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n/an/a 2.11E+5n/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for the displacement of [3H]yohimbine in acetonitrile/acetic acid anti-corynanthine MIPs for Alpha-2 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50027058
PNG
((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
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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n/an/a 3.40E+5n/an/an/an/a5.0n/a


TBA

Assay Description
Alpha-2 adrenergic receptor binding activity was determined displacement of [3H]-yohimbine in 50 mM phosphate buffer pH 5.0/Tween 20 where the polyme...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(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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n/an/a 3.98E+5n/an/an/an/a5.0n/a


TBA

Assay Description
Compound was evaluated for the displacement of [3H]yohimbine in 50 mM phosphate buffer pH 5.0/Tween 20 where the polymer is anti-yohimbin MIPs for Al...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50027058
PNG
((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
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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n/an/a 8.71E+5n/an/an/an/a5.0n/a


TBA

Assay Description
Compound was evaluated for the displacement of [3H]yohimbine in 50 mM phosphate buffer pH 5.0/Tween 20 where the polymer is anti-yohimbin MIPs for Al...


Citation and Details
More data for this
Ligand-Target Pair
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