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Compile Data Set for Download or QSAR

Found 142 hits Enz. Inhib. hit(s) with Target = 'ADRA1B'   
Target
(Institution)
LigandTarget
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
ADRA1B


(C.H.O.)
BDBM50007568
PNG
(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
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PubMed
0.00900n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328497
PNG
((11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(CN)cc12
Show InChI InChI=1S/C20H25N3S/c1-22-8-10-23(11-9-22)18-13-16-4-2-3-5-19(16)24-20-7-6-15(14-21)12-17(18)20/h2-7,12,18H,8-11,13-14,21H2,1H3
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0.0390n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328500
PNG
(CHEMBL1259144 | rac-N-((11-(4-Methylpiperazin-1-yl...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12
Show InChI InChI=1S/C22H27N3OS/c1-16(26)23-15-17-7-8-22-19(13-17)20(25-11-9-24(2)10-12-25)14-18-5-3-4-6-21(18)27-22/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,23,26)
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0.0810n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328496
PNG
(11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[b...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)C#N
Show InChI InChI=1S/C20H21N3S/c1-22-8-10-23(11-9-22)18-13-16-4-2-3-5-19(16)24-20-7-6-15(14-21)12-17(18)20/h2-7,12,18H,8-11,13H2,1H3
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0.0880n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
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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PubMed
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)

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)

More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328488
PNG
(5-(11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenz...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cncnc1
Show InChI InChI=1S/C23H24N4S/c1-26-8-10-27(11-9-26)21-13-18-4-2-3-5-22(18)28-23-7-6-17(12-20(21)23)19-14-24-16-25-15-19/h2-7,12,14-16,21H,8-11,13H2,1H3
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0.170n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328506
PNG
((S)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrod...)
Show SMILES CC(C)C(=O)NCc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C24H31N3OS/c1-17(2)24(28)25-16-18-8-9-23-20(14-18)21(27-12-10-26(3)11-13-27)15-19-6-4-5-7-22(19)29-23/h4-9,14,17,21H,10-13,15-16H2,1-3H3,(H,25,28)/t21-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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PubMed
0.200n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against adrenoceptor alpha 1b expressed in LTK cell


J Med Chem 43: 1586-603 (2000)

More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328482
PNG
(1-Methyl-4-(8-(1-methyl-1H-pyrazol-4-yl)-10,11-dih...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C23H26N4S/c1-25-9-11-27(12-10-25)21-14-18-5-3-4-6-22(18)28-23-8-7-17(13-20(21)23)19-15-24-26(2)16-19/h3-8,13,15-16,21H,9-12,14H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50007568
PNG
(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
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0.220n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells


Citation and Details
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




Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328481
PNG
(1-Methyl-4-(8-(1-methyl-1H-pyrazol-3-yl)-10,11-dih...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccn(C)n1
Show InChI InChI=1S/C23H26N4S/c1-25-11-13-27(14-12-25)21-16-18-5-3-4-6-22(18)28-23-8-7-17(15-19(21)23)20-9-10-26(2)24-20/h3-10,15,21H,11-14,16H2,1-2H3
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0.25n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328486
PNG
(1-Methyl-4-(8-(pyridin-3-yl)-10,11-dihydrodibenzo[...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cccnc1
Show InChI InChI=1S/C24H25N3S/c1-26-11-13-27(14-12-26)22-16-19-5-2-3-7-23(19)28-24-9-8-18(15-21(22)24)20-6-4-10-25-17-20/h2-10,15,17,22H,11-14,16H2,1H3
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0.260n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328505
PNG
((R)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrod...)
Show SMILES CC(C)C(=O)NCc1ccc2Sc3ccccc3C[C@@H](N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C24H31N3OS/c1-17(2)24(28)25-16-18-8-9-23-20(14-18)21(27-12-10-26(3)11-13-27)15-19-6-4-5-7-22(19)29-23/h4-9,14,17,21H,10-13,15-16H2,1-3H3,(H,25,28)/t21-/m1/s1
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0.270n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328501
PNG
(CHEMBL1259145 | rac-N-((11-(4-Methylpiperazin-1-yl...)
Show SMILES CC(C)C(=O)NCc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C24H31N3OS/c1-17(2)24(28)25-16-18-8-9-23-20(14-18)21(27-12-10-26(3)11-13-27)15-19-6-4-5-7-22(19)29-23/h4-9,14,17,21H,10-13,15-16H2,1-3H3,(H,25,28)
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0.310n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328480
PNG
(1-Methyl-4-(8-(1-methyl-1H-pyrazol-5-yl)-10,11-dih...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccnn1C
Show InChI InChI=1S/C23H26N4S/c1-25-11-13-27(14-12-25)21-16-18-5-3-4-6-22(18)28-23-8-7-17(15-19(21)23)20-9-10-24-26(20)2/h3-10,15,21H,11-14,16H2,1-2H3
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0.320n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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0.330n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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0.330n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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0.330n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosine from hamster alpha1B adrenoceptor expressed in Rat1 cells after 20 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328478
PNG
(1-Methyl-4-(8-(2-methyl-2H-tetrazol-5-yl)-10,11-di...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1nnn(C)n1
Show InChI InChI=1S/C21H24N6S/c1-25-9-11-27(12-10-25)18-14-15-5-3-4-6-19(15)28-20-8-7-16(13-17(18)20)21-22-24-26(2)23-21/h3-8,13,18H,9-12,14H2,1-2H3
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0.350n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328479
PNG
(1-Methyl-4-(8-(1-methyl-1H-tetrazol-5-yl)-10,11-di...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1nnnn1C
Show InChI InChI=1S/C21H24N6S/c1-25-9-11-27(12-10-25)18-14-15-5-3-4-6-19(15)28-20-8-7-16(13-17(18)20)21-22-23-24-26(21)2/h3-8,13,18H,9-12,14H2,1-2H3
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0.360n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50122817
PNG
(3-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4...)
Show SMILES Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H30FN7O2/c1-37-20-34-30(36-37)22-6-11-29-26(18-22)27(19-40(29)24-9-7-23(33)8-10-24)21-12-14-38(15-13-21)16-17-39-31(41)25-4-2-3-5-28(25)35-32(39)42/h2-11,18-21H,12-17H2,1H3,(H,35,42)
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0.390n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328489
PNG
(1-Methyl-4-(8-phenyl-10,11-dihydrodibenzo[b,f]thie...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccccc1
Show InChI InChI=1S/C25H26N2S/c1-26-13-15-27(16-14-26)23-18-21-9-5-6-10-24(21)28-25-12-11-20(17-22(23)25)19-7-3-2-4-8-19/h2-12,17,23H,13-16,18H2,1H3
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0.400n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328504
PNG
((S)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrod...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12
Show InChI InChI=1S/C22H27N3OS/c1-16(26)23-15-17-7-8-22-19(13-17)20(25-11-9-24(2)10-12-25)14-18-5-3-4-6-21(18)27-22/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,23,26)/t20-/m0/s1
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0.420n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50007567
PNG
(1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...)
Show SMILES CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m1/s1
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0.420n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50122826
PNG
((Cyclazosin)[4-(4-Amino-6,7-dimethoxy-quinazolin-2...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(C2CCCCC12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)
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0.460n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells


Citation and Details
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)

More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328502
PNG
(CHEMBL1259158 | N-((11-(4-Methylpiperazin-1-yl)-10...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(CNC(=O)C(C)(C)C)cc12
Show InChI InChI=1S/C25H33N3OS/c1-25(2,3)24(29)26-17-18-9-10-23-20(15-18)21(28-13-11-27(4)12-14-28)16-19-7-5-6-8-22(19)30-23/h5-10,15,21H,11-14,16-17H2,1-4H3,(H,26,29)
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0.520n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM22872
PNG
(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3
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0.560n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328476
PNG
(1-(2-(4-(1-(4-fluorophenyl)-5-((2-methyl-2H-tetraz...)
Show SMILES Cn1nnc(Cc2ccc3n(cc(C4CCN(CCN5CCNC5=O)CC4)c3c2)-c2ccc(F)cc2)n1
Show InChI InChI=1S/C27H31FN8O/c1-33-31-26(30-32-33)17-19-2-7-25-23(16-19)24(18-36(25)22-5-3-21(28)4-6-22)20-8-11-34(12-9-20)14-15-35-13-10-29-27(35)37/h2-7,16,18,20H,8-15,17H2,1H3,(H,29,37)
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0.560n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50122813
PNG
(3-(2-{4-[1-(4-Fluoro-phenyl)-5-(2-methyl-2H-tetraz...)
Show SMILES Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCOC4=O)CC3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H28FN7O2/c1-31-29-25(28-30-31)19-2-7-24-22(16-19)23(17-34(24)21-5-3-20(27)4-6-21)18-8-10-32(11-9-18)12-13-33-14-15-36-26(33)35/h2-7,16-18H,8-15H2,1H3
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0.690n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
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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0.690n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against adrenoceptor alpha 1b expressed in LTK cell


J Med Chem 43: 1586-603 (2000)

More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328484
PNG
(1-Methyl-4-(8-(5-methylthiophen-2-yl)-10,11-dihydr...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccc(C)s1
Show InChI InChI=1S/C24H26N2S2/c1-17-7-9-23(27-17)19-8-10-24-20(15-19)21(26-13-11-25(2)12-14-26)16-18-5-3-4-6-22(18)28-24/h3-10,15,21H,11-14,16H2,1-2H3
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0.720n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328492
PNG
(1-Methyl-4-(8-p-tolyl-10,11-dihydrodibenzo[b,f]thi...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccc(C)cc1
Show InChI InChI=1S/C26H28N2S/c1-19-7-9-20(10-8-19)21-11-12-26-23(17-21)24(28-15-13-27(2)14-16-28)18-22-5-3-4-6-25(22)29-26/h3-12,17,24H,13-16,18H2,1-2H3
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0.820n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
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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0.830n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50087488
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ccc(cc6sc5c4=O)C(N)=O)C[C@@H]3CCc12
Show InChI InChI=1S/C26H26N4O4S/c1-34-20-4-2-3-16-17(20)7-6-15-12-29(13-19(15)16)9-10-30-25(32)23-22(28-26(30)33)18-8-5-14(24(27)31)11-21(18)35-23/h2-5,8,11,15,19H,6-7,9-10,12-13H2,1H3,(H2,27,31)(H,28,33)/t15-,19+/m0/s1
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0.860n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1B adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)

More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328503
PNG
((R)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrod...)
Show SMILES CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12
Show InChI InChI=1S/C22H27N3OS/c1-16(26)23-15-17-7-8-22-19(13-17)20(25-11-9-24(2)10-12-25)14-18-5-3-4-6-21(18)27-22/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,23,26)/t20-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50007567
PNG
(1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...)
Show SMILES CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m1/s1
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0.930n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328491
PNG
(1-Methyl-4-(8-m-tolyl-10,11-dihydrodibenzo[b,f]thi...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cccc(C)c1
Show InChI InChI=1S/C26H28N2S/c1-19-6-5-8-20(16-19)21-10-11-26-23(17-21)24(28-14-12-27(2)13-15-28)18-22-7-3-4-9-25(22)29-26/h3-11,16-17,24H,12-15,18H2,1-2H3
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0.950n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
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




Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50122815
PNG
(1-(2-{4-[1-(4-Fluoro-phenyl)-5-(2-methyl-2H-tetraz...)
Show SMILES Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H29FN8O/c1-32-30-25(29-31-32)19-2-7-24-22(16-19)23(17-35(24)21-5-3-20(27)4-6-21)18-8-11-33(12-9-18)14-15-34-13-10-28-26(34)36/h2-7,16-18H,8-15H2,1H3,(H,28,36)
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1.10n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50122815
PNG
(1-(2-{4-[1-(4-Fluoro-phenyl)-5-(2-methyl-2H-tetraz...)
Show SMILES Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H29FN8O/c1-32-30-25(29-31-32)19-2-7-24-22(16-19)23(17-35(24)21-5-3-20(27)4-6-21)18-8-11-33(12-9-18)14-15-34-13-10-28-26(34)36/h2-7,16-18H,8-15H2,1H3,(H,28,36)
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1.10n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosine from hamster alpha1B adrenoceptor expressed in Rat1 cells after 20 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328474
PNG
(1-(2-(4-(5-(aminomethyl)-1-(4-fluorophenyl)-1H-ind...)
Show SMILES NCc1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H30FN5O/c26-20-2-4-21(5-3-20)31-17-23(22-15-18(16-27)1-6-24(22)31)19-7-10-29(11-8-19)13-14-30-12-9-28-25(30)32/h1-6,15,17,19H,7-14,16,27H2,(H,28,32)
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1.10n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50122815
PNG
(1-(2-{4-[1-(4-Fluoro-phenyl)-5-(2-methyl-2H-tetraz...)
Show SMILES Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H29FN8O/c1-32-30-25(29-31-32)19-2-7-24-22(16-19)23(17-35(24)21-5-3-20(27)4-6-21)18-8-11-33(12-9-18)14-15-34-13-10-28-26(34)36/h2-7,16-18H,8-15H2,1H3,(H,28,36)
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1.10n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328483
PNG
(1-Methyl-4-(8-(1-methyl-1H-1,2,4-triazol-3-yl)-10,...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ncn(C)n1
Show InChI InChI=1S/C22H25N5S/c1-25-9-11-27(12-10-25)19-14-16-5-3-4-6-20(16)28-21-8-7-17(13-18(19)21)22-23-15-26(2)24-22/h3-8,13,15,19H,9-12,14H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328493
PNG
(1-(8-(2,3-Dimethylphenyl)-10,11-dihydrodibenzo[b,f...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cccc(C)c1C
Show InChI InChI=1S/C27H30N2S/c1-19-7-6-9-23(20(19)2)21-11-12-27-24(17-21)25(29-15-13-28(3)14-16-29)18-22-8-4-5-10-26(22)30-27/h4-12,17,25H,13-16,18H2,1-3H3
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1.20n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328485
PNG
(1-Methyl-4-(8-(pyridin-2-yl)-10,11-dihydrodibenzo[...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccccn1
Show InChI InChI=1S/C24H25N3S/c1-26-12-14-27(15-13-26)22-17-19-6-2-3-8-23(19)28-24-10-9-18(16-20(22)24)21-7-4-5-11-25-21/h2-11,16,22H,12-15,17H2,1H3
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1.60n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50087470
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(ccc6sc5c4=O)C(=O)N(C)C)C[C@@H]3CCc12
Show InChI InChI=1S/C28H30N4O4S/c1-30(2)26(33)16-8-10-23-20(13-16)24-25(37-23)27(34)32(28(35)29-24)12-11-31-14-17-7-9-19-18(21(17)15-31)5-4-6-22(19)36-3/h4-6,8,10,13,17,21H,7,9,11-12,14-15H2,1-3H3,(H,29,35)/t17-,21+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1B adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)

More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328495
PNG
(1-(8-Mesityl-10,11-dihydrodibenzo[b,f]thiepin-10-y...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1c(C)cc(C)cc1C
Show InChI InChI=1S/C28H32N2S/c1-19-15-20(2)28(21(3)16-19)23-9-10-27-24(17-23)25(30-13-11-29(4)12-14-30)18-22-7-5-6-8-26(22)31-27/h5-10,15-17,25H,11-14,18H2,1-4H3
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1.80n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


Citation and Details
More data for this
Ligand-Target Pair
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