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Compile Data Set for Download or QSAR

Found 37 hits of Enz. Inhib. data with enzyme = 'ADRA1B' and Substrate = 'to-be-curated'   
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
ADRA1B


(C.H.O.)
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.140n/an/an/an/an/an/an/an/a



National Children's Medical Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 268: 399-407 (1994)


BindingDB Entry DOI: 10.7270/Q26W98KS
More data for this
Ligand-Target Pair
ADRA1B


(PIG)
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.160n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Eur J Pharmacol 347: 301-9 (1998)


BindingDB Entry DOI: 10.7270/Q2GT5KQK
More data for this
Ligand-Target Pair
ADRA1B


(Mus musculus)
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.25n/an/an/an/an/an/an/an/a



University of Dublin

Curated by PDSP Ki Database




J Med Chem 49: 501-10 (2006)


Article DOI: 10.1021/jm0503751
BindingDB Entry DOI: 10.7270/Q29G5KC3
More data for this
Ligand-Target Pair
ADRA1B


(PIG)
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Eur J Pharmacol 347: 301-9 (1998)


BindingDB Entry DOI: 10.7270/Q2GT5KQK
More data for this
Ligand-Target Pair
ADRA1B


(Mus musculus)
BDBM86731
PNG
(CAS_74191-85-8 | DOXAZOSIN | Doxazosin | UK 33,274)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)
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1n/an/an/an/an/an/an/an/a



University of Dublin

Curated by PDSP Ki Database




J Med Chem 49: 501-10 (2006)


Article DOI: 10.1021/jm0503751
BindingDB Entry DOI: 10.7270/Q29G5KC3
More data for this
Ligand-Target Pair
ADRA1B


(Mus musculus)
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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2n/an/an/an/an/an/an/an/a



University of Dublin

Curated by PDSP Ki Database




J Med Chem 49: 501-10 (2006)


Article DOI: 10.1021/jm0503751
BindingDB Entry DOI: 10.7270/Q29G5KC3
More data for this
Ligand-Target Pair
ADRA1B


(PIG)
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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2n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Eur J Pharmacol 347: 301-9 (1998)


BindingDB Entry DOI: 10.7270/Q2GT5KQK
More data for this
Ligand-Target Pair
ADRA1B


(Mus musculus)
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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2.5n/an/an/an/an/an/an/an/a



University of Dublin

Curated by PDSP Ki Database




J Med Chem 49: 501-10 (2006)


Article DOI: 10.1021/jm0503751
BindingDB Entry DOI: 10.7270/Q29G5KC3
More data for this
Ligand-Target Pair
ADRA1B


(PIG)
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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3.16n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Eur J Pharmacol 347: 301-9 (1998)


BindingDB Entry DOI: 10.7270/Q2GT5KQK
More data for this
Ligand-Target Pair
ADRA1B


(PIG)
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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3.16n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Eur J Pharmacol 347: 301-9 (1998)


BindingDB Entry DOI: 10.7270/Q2GT5KQK
More data for this
Ligand-Target Pair
ADRA1B


(PIG)
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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5.01n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Eur J Pharmacol 347: 301-9 (1998)


BindingDB Entry DOI: 10.7270/Q2GT5KQK
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
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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5.20n/an/an/an/an/an/an/an/a



National Children's Medical Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 268: 399-407 (1994)


BindingDB Entry DOI: 10.7270/Q26W98KS
More data for this
Ligand-Target Pair
ADRA1B


(Mus musculus)
BDBM50033110
PNG
(ALFUZOSIN | CHEMBL709 | N-{3-[(4-amino-6,7-dimetho...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C1CCCO1
Show InChI InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)
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10n/an/an/an/an/an/an/an/a



University of Dublin

Curated by PDSP Ki Database




J Med Chem 49: 501-10 (2006)


Article DOI: 10.1021/jm0503751
BindingDB Entry DOI: 10.7270/Q29G5KC3
More data for this
Ligand-Target Pair
ADRA1B


(PIG)
BDBM50002338
PNG
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)
Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
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15.8n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Eur J Pharmacol 347: 301-9 (1998)


BindingDB Entry DOI: 10.7270/Q2GT5KQK
More data for this
Ligand-Target Pair
ADRA1B


(Mus musculus)
BDBM50160165
PNG
(CHEMBL88272 | RS-17053 | [2-(2-Cyclopropylmethoxy-...)
Show SMILES CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC1CC1
Show InChI InChI=1S/C24H29ClN2O2/c1-24(2,14-18-15-26-21-10-9-19(25)13-20(18)21)27-11-12-28-22-5-3-4-6-23(22)29-16-17-7-8-17/h3-6,9-10,13,15,17,26-27H,7-8,11-12,14,16H2,1-2H3
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16n/an/an/an/an/an/an/an/a



University of Dublin

Curated by PDSP Ki Database




J Med Chem 49: 501-10 (2006)


Article DOI: 10.1021/jm0503751
BindingDB Entry DOI: 10.7270/Q29G5KC3
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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18n/an/an/an/an/an/an/an/a



National Children's Medical Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 268: 399-407 (1994)


BindingDB Entry DOI: 10.7270/Q26W98KS
More data for this
Ligand-Target Pair
ADRA1B


(PIG)
BDBM50030614
PNG
(5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...)
Show SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23
Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3
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25.1n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Eur J Pharmacol 347: 301-9 (1998)


BindingDB Entry DOI: 10.7270/Q2GT5KQK
More data for this
Ligand-Target Pair
ADRA1B


(PIG)
BDBM50030614
PNG
(5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...)
Show SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23
Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3
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31.6n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Eur J Pharmacol 347: 301-9 (1998)


BindingDB Entry DOI: 10.7270/Q2GT5KQK
More data for this
Ligand-Target Pair
ADRA1B


(PIG)
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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39.8n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Eur J Pharmacol 347: 301-9 (1998)


BindingDB Entry DOI: 10.7270/Q2GT5KQK
More data for this
Ligand-Target Pair
ADRA1B


(Mus musculus)
BDBM50033112
PNG
(6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyla...)
Show SMILES COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1
Show InChI InChI=1S/C21H31N5O3/c1-16-19(23(2)21(28)24(3)20(16)27)22-10-7-11-25-12-14-26(15-13-25)17-8-5-6-9-18(17)29-4/h5-6,8-9,22H,7,10-15H2,1-4H3
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40n/an/an/an/an/an/an/an/a



University of Dublin

Curated by PDSP Ki Database




J Med Chem 49: 501-10 (2006)


Article DOI: 10.1021/jm0503751
BindingDB Entry DOI: 10.7270/Q29G5KC3
More data for this
Ligand-Target Pair
ADRA1B


(PIG)
BDBM50033112
PNG
(6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyla...)
Show SMILES COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1
Show InChI InChI=1S/C21H31N5O3/c1-16-19(23(2)21(28)24(3)20(16)27)22-10-7-11-25-12-14-26(15-13-25)17-8-5-6-9-18(17)29-4/h5-6,8-9,22H,7,10-15H2,1-4H3
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63.1n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Eur J Pharmacol 347: 301-9 (1998)


BindingDB Entry DOI: 10.7270/Q2GT5KQK
More data for this
Ligand-Target Pair
ADRA1B


(Mus musculus)
BDBM50160152
PNG
(3-(3-{3-[4-Fluoro-2-(2,2,2-trifluoro-ethoxy)-pheny...)
Show SMILES Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C20H24F4N4O3/c1-14-12-25-19(30)28(18(14)29)6-2-5-26-7-9-27(10-8-26)16-4-3-15(21)11-17(16)31-13-20(22,23)24/h3-4,11-12H,2,5-10,13H2,1H3,(H,25,30)
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79n/an/an/an/an/an/an/an/a



University of Dublin

Curated by PDSP Ki Database




J Med Chem 49: 501-10 (2006)


Article DOI: 10.1021/jm0503751
BindingDB Entry DOI: 10.7270/Q29G5KC3
More data for this
Ligand-Target Pair
ADRA1B


(PIG)
BDBM50033112
PNG
(6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyla...)
Show SMILES COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1
Show InChI InChI=1S/C21H31N5O3/c1-16-19(23(2)21(28)24(3)20(16)27)22-10-7-11-25-12-14-26(15-13-25)17-8-5-6-9-18(17)29-4/h5-6,8-9,22H,7,10-15H2,1-4H3
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126n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Eur J Pharmacol 347: 301-9 (1998)


BindingDB Entry DOI: 10.7270/Q2GT5KQK
More data for this
Ligand-Target Pair
ADRA1B


(PIG)
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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158n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Eur J Pharmacol 347: 301-9 (1998)


BindingDB Entry DOI: 10.7270/Q2GT5KQK
More data for this
Ligand-Target Pair
ADRA1B


(PIG)
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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158n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Eur J Pharmacol 347: 301-9 (1998)


BindingDB Entry DOI: 10.7270/Q2GT5KQK
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50033112
PNG
(6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyla...)
Show SMILES COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1
Show InChI InChI=1S/C21H31N5O3/c1-16-19(23(2)21(28)24(3)20(16)27)22-10-7-11-25-12-14-26(15-13-25)17-8-5-6-9-18(17)29-4/h5-6,8-9,22H,7,10-15H2,1-4H3
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180n/an/an/an/an/an/an/an/a



National Children's Medical Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 268: 399-407 (1994)


BindingDB Entry DOI: 10.7270/Q26W98KS
More data for this
Ligand-Target Pair
ADRA1B


(PIG)
BDBM82424
PNG
(CAS_1236 | NSC_1236 | Niguldipine(+))
Show SMILES COC(=O)C1C(C(C(=O)OCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,31,33H,11,18-23H2,1-3H3
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316n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Eur J Pharmacol 347: 301-9 (1998)


BindingDB Entry DOI: 10.7270/Q2GT5KQK
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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380n/an/an/an/an/an/an/an/a



National Children's Medical Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 268: 399-407 (1994)


BindingDB Entry DOI: 10.7270/Q26W98KS
More data for this
Ligand-Target Pair
ADRA1B


(PIG)
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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398n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Eur J Pharmacol 347: 301-9 (1998)


BindingDB Entry DOI: 10.7270/Q2GT5KQK
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
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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670n/an/an/an/an/an/an/an/a



National Children's Medical Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 268: 399-407 (1994)


BindingDB Entry DOI: 10.7270/Q26W98KS
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM35234
PNG
(DL-[7-3H]norepinephrine | NOREPINEPHRINE | Noradre...)
Show SMILES NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2
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920n/an/an/an/an/an/an/an/a



National Children's Medical Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 268: 399-407 (1994)


BindingDB Entry DOI: 10.7270/Q26W98KS
More data for this
Ligand-Target Pair
ADRA1B


(PIG)
BDBM35234
PNG
(DL-[7-3H]norepinephrine | NOREPINEPHRINE | Noradre...)
Show SMILES NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2
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2.51E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Eur J Pharmacol 347: 301-9 (1998)


BindingDB Entry DOI: 10.7270/Q2GT5KQK
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM84342
PNG
(4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol...)
Show SMILES CNCC(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
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9.40E+3n/an/an/an/an/an/an/an/a



National Children's Medical Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 268: 399-407 (1994)


BindingDB Entry DOI: 10.7270/Q26W98KS
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Children's Medical Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 268: 399-407 (1994)


BindingDB Entry DOI: 10.7270/Q26W98KS
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50026777
PNG
(2-Amino-1-(2,5-dimethoxy-phenyl)-propan-1-ol | 2-A...)
Show SMILES COc1ccc(OC)c(c1)C(O)C(C)N
Show InChI InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Children's Medical Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 268: 399-407 (1994)


BindingDB Entry DOI: 10.7270/Q26W98KS
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM85097
PNG
(CAS_181632-25-7 | CHEMBL14563 | SB 242084)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl
Show InChI InChI=1S/C21H19ClN4O2/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 36: 609-20


BindingDB Entry DOI: 10.7270/Q2SN07GG
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM36024
PNG
((R)-(-)-phenylephrine | PHENYLEPHRINE | Phenylephr...)
Show SMILES C[NH2+]C[C@H](O)c1cccc(O)c1
Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Children's Medical Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 268: 399-407 (1994)


BindingDB Entry DOI: 10.7270/Q26W98KS
More data for this
Ligand-Target Pair