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Compile Data Set for Download or QSAR

Found 5885 hits with Last Name = 'mei' and Initial = 'l'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
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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0.130n/an/an/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat salivary gland adrenergic alpha 1A receptor after 45 mins by liquid scintillation counter


Eur J Med Chem 46: 3000-12 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.032
BindingDB Entry DOI: 10.7270/Q2M32WVZ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50393116
PNG
(CHEMBL2153423)
Show SMILES COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C20H24N2O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19/h2-7,14H,8-13,15H2,1H3
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0.140n/an/an/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat salivary gland adrenergic alpha 1A receptor after 45 mins by liquid scintillation counter


Eur J Med Chem 46: 3000-12 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.032
BindingDB Entry DOI: 10.7270/Q2M32WVZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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0.180n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050525
PNG
((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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0.290n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




J Pharmacol Exp Ther 248: 661-70 (1989)


BindingDB Entry DOI: 10.7270/Q2RF5SH2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50198338
PNG
(CHEMBL3938038)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
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0.389n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050511
PNG
((R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid |...)
Show SMILES NCC(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50050511
PNG
((R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid |...)
Show SMILES NCC(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1
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0.410n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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0.510n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 689-94 (1991)


BindingDB Entry DOI: 10.7270/Q25T3J06
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50050525
PNG
((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1
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0.530n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
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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0.550n/an/an/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat liver adrenergic alpha1B receptor after 45 mins by liquid scintillation counter


Eur J Med Chem 46: 3000-12 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.032
BindingDB Entry DOI: 10.7270/Q2M32WVZ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50200566
PNG
(CHEMBL3902626)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc(OC)c(OC)c2)CC1
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0.603n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50431227
PNG
(CHEMBL2333024)
Show SMILES CC(C)[C@H](NC(=O)c1cccnc1)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C15H22BN3O4/c1-10(2)13(18-14(20)11-5-3-7-17-9-11)15(21)19-8-4-6-12(19)16(22)23/h3,5,7,9-10,12-13,22-23H,4,6,8H2,1-2H3,(H,18,20)/t12-,13-/m0/s1
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0.730n/an/an/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition of human PREP using Suc-GP-AMC as substrate by Lineweaver-Burk plot analysis


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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0.760n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50201790
PNG
(CHEMBL3917716)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
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1.10n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50004665
PNG
((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...)
Show SMILES O=C1CCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
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1.10n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 689-94 (1991)


BindingDB Entry DOI: 10.7270/Q25T3J06
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50200441
PNG
(CHEMBL3930616)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc(OC)cc2)CC1
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1.10n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50201791
PNG
(CHEMBL3920110)
Show SMILES COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1OC
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1.30n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50201789
PNG
(CHEMBL3946843)
Show SMILES COc1cccc(CCN2CCN(CC2)c2ccccc2OC(C)C)c1
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1.30n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50393116
PNG
(CHEMBL2153423)
Show SMILES COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C20H24N2O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19/h2-7,14H,8-13,15H2,1H3
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1.30n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50200441
PNG
(CHEMBL3930616)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc(OC)cc2)CC1
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1.30n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Aix-Marseille Universit£

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


Bioorg Med Chem Lett 19: 6736-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.112
BindingDB Entry DOI: 10.7270/Q2VT1S67
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50201790
PNG
(CHEMBL3917716)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
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1.5n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50198338
PNG
(CHEMBL3938038)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
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1.70n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50253621
PNG
((S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxop...)
Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H17BN2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7,16-17H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM73209
PNG
((+)-CIS-DIOXOLANE | CHEMBL105457 | MLS000069362 | ...)
Show SMILES C[C@H]1OC[C@@H](C[N+](C)(C)C)O1
Show InChI InChI=1S/C8H18NO2/c1-7-10-6-8(11-7)5-9(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8+/m0/s1
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1.90n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 689-94 (1991)


BindingDB Entry DOI: 10.7270/Q25T3J06
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50201791
PNG
(CHEMBL3920110)
Show SMILES COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1OC
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2n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50050525
PNG
((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1
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2n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50200566
PNG
(CHEMBL3902626)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc(OC)c(OC)c2)CC1
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2.10n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50197059
PNG
(CHEMBL3976144)
Show SMILES COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1
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2.20n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50005677
PNG
(CHEMBL23957 | OXO-M | Trimethyl-[4-(2-oxo-pyrrolid...)
Show SMILES C[N+](C)(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
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2.5n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 689-94 (1991)


BindingDB Entry DOI: 10.7270/Q25T3J06
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50253621
PNG
((S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxop...)
Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H17BN2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7,16-17H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50197548
PNG
(CHEMBL3947302)
Show SMILES CCOc1ccccc1N1CCN(CCc2cccc(OC)c2)CC1
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2.60n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50201789
PNG
(CHEMBL3946843)
Show SMILES COc1cccc(CCN2CCN(CC2)c2ccccc2OC(C)C)c1
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2.80n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50197548
PNG
(CHEMBL3947302)
Show SMILES CCOc1ccccc1N1CCN(CCc2cccc(OC)c2)CC1
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3n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50050511
PNG
((R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid |...)
Show SMILES NCC(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50197059
PNG
(CHEMBL3976144)
Show SMILES COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1
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3.10n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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3.40n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 689-94 (1991)


BindingDB Entry DOI: 10.7270/Q25T3J06
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50393116
PNG
(CHEMBL2153423)
Show SMILES COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C20H24N2O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19/h2-7,14H,8-13,15H2,1H3
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3.5n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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3.80n/an/an/an/an/an/an/an/a



Aix-Marseille Universit£

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


Bioorg Med Chem Lett 19: 6736-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.112
BindingDB Entry DOI: 10.7270/Q2VT1S67
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50171556
PNG
((R)-1-((S)-2-amino-3-methylbutanamido)ethylboronic...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](C)B(O)O |r|
Show InChI InChI=1S/C7H17BN2O3/c1-4(2)6(9)7(11)10-5(3)8(12)13/h4-6,12-13H,9H2,1-3H3,(H,10,11)/t5-,6-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
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4.10n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 689-94 (1991)


BindingDB Entry DOI: 10.7270/Q25T3J06
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50198439
PNG
(CHEMBL3967641)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCc2ccccc2)CC1
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4.60n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50198439
PNG
(CHEMBL3967641)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCc2ccccc2)CC1
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5n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50393116
PNG
(CHEMBL2153423)
Show SMILES COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C20H24N2O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19/h2-7,14H,8-13,15H2,1H3
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5.20n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50201790
PNG
(CHEMBL3917716)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
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5.40n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50393116
PNG
(CHEMBL2153423)
Show SMILES COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C20H24N2O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19/h2-7,14H,8-13,15H2,1H3
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5.55n/an/an/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat liver adrenergic alpha1B receptor after 45 mins by liquid scintillation counter


Eur J Med Chem 46: 3000-12 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.032
BindingDB Entry DOI: 10.7270/Q2M32WVZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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8.20n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 689-94 (1991)


BindingDB Entry DOI: 10.7270/Q25T3J06
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50253639
PNG
((S)-4-amino-5-((R)-1-boronoethylamino)-5-oxopentan...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(O)=O)B(O)O |r|
Show InChI InChI=1S/C7H15BN2O5/c1-4(8(14)15)10-7(13)5(9)2-3-6(11)12/h4-5,14-15H,2-3,9H2,1H3,(H,10,13)(H,11,12)/t4-,5-/m0/s1
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8.30n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
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