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Compile Data Set for Download or QSAR

Found 160 hits with Last Name = 'begtrup' and Initial = 'm'   
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
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50420184
PNG
(CHEMBL2074601)
Show SMILES CN(CC(O)=O)C(=O)[C@@H](N)CC(O)C(=O)OCn1cc(C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C14H20N4O8/c1-7-4-18(14(25)16-11(7)22)6-26-13(24)9(19)3-8(15)12(23)17(2)5-10(20)21/h4,8-9,19H,3,5-6,15H2,1-2H3,(H,20,21)(H,16,22,25)/t8-,9?/m0/s1
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2.10E+5n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in Caco-2 cells


J Control Release 86: 279-92 (2003)


BindingDB Entry DOI: 10.7270/Q27H1KVK
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50420183
PNG
(CHEMBL1823468)
Show SMILES CN(CC([O-])=O)C(=O)[C@@H]([NH3+])CCC(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O |r|
Show InChI InChI=1S/C16H23N7O7/c1-22(6-10(24)25)15(28)9(17)2-3-11(26)30-5-4-29-8-23-7-19-12-13(23)20-16(18)21-14(12)27/h7,9H,2-6,8,17H2,1H3,(H,24,25)(H3,18,20,21,27)/t9-/m0/s1
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2.80E+5n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in Caco-2 cells


J Control Release 86: 279-92 (2003)


BindingDB Entry DOI: 10.7270/Q27H1KVK
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50418932
PNG
(CHEMBL1807354)
Show SMILES [NH3+][C@@H](Cc1ccccc1)C(=O)C[C@@H](COC(=O)c1ccccc1)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C28H34N2O6/c29-23(16-19-10-4-1-5-11-19)24(31)17-22(18-36-28(35)21-14-8-3-9-15-21)26(32)30-25(27(33)34)20-12-6-2-7-13-20/h1,3-5,8-11,14-15,20,22-23,25H,2,6-7,12-13,16-18,29H2,(H,30,32)(H,33,34)/p+1/t22-,23-,25-/m0/s1
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4.68E+7n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting


Bioorg Med Chem Lett 21: 4597-601 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.108
BindingDB Entry DOI: 10.7270/Q2VM4DHS
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50418933
PNG
(CHEMBL1807356)
Show SMILES CCC[C@H](NC(=O)[C@H](COC(=O)c1ccccc1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C24H29N3O6/c1-2-9-19(23(30)31)26-22(29)20(15-33-24(32)17-12-7-4-8-13-17)27-21(28)18(25)14-16-10-5-3-6-11-16/h3-8,10-13,18-20H,2,9,14-15,25H2,1H3,(H,26,29)(H,27,28)(H,30,31)/p+1/t18-,19-,20-/m0/s1
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1.23E+8n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting


Bioorg Med Chem Lett 21: 4597-601 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.108
BindingDB Entry DOI: 10.7270/Q2VM4DHS
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50418934
PNG
(CHEMBL1807357)
Show SMILES [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H](COC(=O)c1ccccc1)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C27H33N3O6/c28-21(16-18-10-4-1-5-11-18)24(31)29-22(17-36-27(35)20-14-8-3-9-15-20)25(32)30-23(26(33)34)19-12-6-2-7-13-19/h1,3-5,8-11,14-15,19,21-23H,2,6-7,12-13,16-17,28H2,(H,29,31)(H,30,32)(H,33,34)/p+1/t21-,22-,23-/m0/s1
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2.45E+8n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting


Bioorg Med Chem Lett 21: 4597-601 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.108
BindingDB Entry DOI: 10.7270/Q2VM4DHS
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50418935
PNG
(CHEMBL1807353)
Show SMILES CCC[C@H](NC(=O)[C@H](COC(=O)c1ccccc1)CC(=O)[C@@H]([NH3+])Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C25H30N2O6/c1-2-9-21(24(30)31)27-23(29)19(16-33-25(32)18-12-7-4-8-13-18)15-22(28)20(26)14-17-10-5-3-6-11-17/h3-8,10-13,19-21H,2,9,14-16,26H2,1H3,(H,27,29)(H,30,31)/p+1/t19-,20-,21-/m0/s1
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2.51E+8n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting


Bioorg Med Chem Lett 21: 4597-601 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.108
BindingDB Entry DOI: 10.7270/Q2VM4DHS
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50418931
PNG
(CHEMBL1807351)
Show SMILES C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C15H21N3O5/c1-9(15(22)23)17-14(21)12(8-19)18-13(20)11(16)7-10-5-3-2-4-6-10/h2-6,9,11-12,19H,7-8,16H2,1H3,(H,17,21)(H,18,20)(H,22,23)/t9-,11-,12-/m0/s1
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2.57E+8n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting


Bioorg Med Chem Lett 21: 4597-601 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.108
BindingDB Entry DOI: 10.7270/Q2VM4DHS
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50418936
PNG
(CHEMBL1807352)
Show SMILES C[C@H](NC(=O)[C@H](COC(=O)c1ccccc1)CC(=O)[C@@H]([NH3+])Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C23H26N2O6/c1-15(22(28)29)25-21(27)18(14-31-23(30)17-10-6-3-7-11-17)13-20(26)19(24)12-16-8-4-2-5-9-16/h2-11,15,18-19H,12-14,24H2,1H3,(H,25,27)(H,28,29)/p+1/t15-,18-,19-/m0/s1
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3.24E+8n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting


Bioorg Med Chem Lett 21: 4597-601 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.108
BindingDB Entry DOI: 10.7270/Q2VM4DHS
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
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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n/an/a 0.390n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL




J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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n/an/a 0.400n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL




J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001811
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-...)
Show SMILES Cc1ccc2n(cc(-c3ccc(F)cc3)c2c1)C1=CCN(CCN2CCNC2=O)CC1 |t:20|
Show InChI InChI=1S/C25H27FN4O/c1-18-2-7-24-22(16-18)23(19-3-5-20(26)6-4-19)17-30(24)21-8-11-28(12-9-21)14-15-29-13-10-27-25(29)31/h2-8,16-17H,9-15H2,1H3,(H,27,31)
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n/an/a 1.5n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL




J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001782
PNG
((Lu 26-042)1-(2-{4-[6-Chloro-1-(4-fluoro-phenyl)-1...)
Show SMILES CC(C)N1CCN(CCN2CCC(CC2)c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)C1=O
Show InChI InChI=1S/C27H32ClFN4O/c1-19(2)32-16-15-31(27(32)34)14-13-30-11-9-20(10-12-30)25-18-33(23-6-4-22(29)5-7-23)26-17-21(28)3-8-24(25)26/h3-8,17-20H,9-16H2,1-2H3
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n/an/a 1.5n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL




J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001803
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-...)
Show SMILES Cc1ccc2n(cc(-c3ccc(F)cc3)c2c1)C1CCN(CCN2CCNC2=O)CC1
Show InChI InChI=1S/C25H29FN4O/c1-18-2-7-24-22(16-18)23(19-3-5-20(26)6-4-19)17-30(24)21-8-11-28(12-9-21)14-15-29-13-10-27-25(29)31/h2-7,16-17,21H,8-15H2,1H3,(H,27,31)
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n/an/a 1.60n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL




J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001806
PNG
(1-(2-{4-[6-Chloro-3-(4-fluoro-phenyl)-indol-1-yl]-...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-3-6-21-22(17-1-4-19(26)5-2-17)16-30(23(21)15-18)20-7-10-28(11-8-20)13-14-29-12-9-27-24(29)31/h1-6,15-16,20H,7-14H2,(H,27,31)
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n/an/a 1.90n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL




J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001813
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-...)
Show SMILES CNC(=O)N(C)CCN1CCC(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C25H31FN4O/c1-18-4-9-24-22(16-18)23(19-5-7-20(26)8-6-19)17-30(24)21-10-12-29(13-11-21)15-14-28(3)25(31)27-2/h4-9,16-17,21H,10-15H2,1-3H3,(H,27,31)
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n/an/a 2.20n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL




J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001817
PNG
(3-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-...)
Show SMILES CN(C)C(=O)NCCN1CCC(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C25H31FN4O/c1-18-4-9-24-22(16-18)23(19-5-7-20(26)8-6-19)17-30(24)21-10-13-29(14-11-21)15-12-27-25(31)28(2)3/h4-9,16-17,21H,10-15H2,1-3H3,(H,27,31)
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n/an/a 2.30n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL




J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001808
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-...)
Show SMILES CC(C)N1CCN(CCN2CCC(CC2)n2cc(-c3ccc(F)cc3)c3cc(C)ccc23)C1=O
Show InChI InChI=1S/C28H35FN4O/c1-20(2)32-17-16-31(28(32)34)15-14-30-12-10-24(11-13-30)33-19-26(22-5-7-23(29)8-6-22)25-18-21(3)4-9-27(25)33/h4-9,18-20,24H,10-17H2,1-3H3
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n/an/a 2.70n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL




J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001807
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-2,5-dimethyl-indol-1-...)
Show SMILES Cc1c(-c2ccc(F)cc2)c2cc(C)ccc2n1C1=CCN(CCN2CCNC2=O)CC1 |t:21|
Show InChI InChI=1S/C26H29FN4O/c1-18-3-8-24-23(17-18)25(20-4-6-21(27)7-5-20)19(2)31(24)22-9-12-29(13-10-22)15-16-30-14-11-28-26(30)32/h3-9,17H,10-16H2,1-2H3,(H,28,32)
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n/an/a 2.80n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL




J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001802
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-indol-1-yl]-piperidin...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccccc12
Show InChI InChI=1S/C24H27FN4O/c25-19-7-5-18(6-8-19)22-17-29(23-4-2-1-3-21(22)23)20-9-12-27(13-10-20)15-16-28-14-11-26-24(28)30/h1-8,17,20H,9-16H2,(H,26,30)
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n/an/a 3.10n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL




J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001812
PNG
(1-(2-{4-[5-Fluoro-3-(4-fluoro-phenyl)-indol-1-yl]-...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccc(F)cc12
Show InChI InChI=1S/C24H26F2N4O/c25-18-3-1-17(2-4-18)22-16-30(23-6-5-19(26)15-21(22)23)20-7-10-28(11-8-20)13-14-29-12-9-27-24(29)31/h1-6,15-16,20H,7-14H2,(H,27,31)
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n/an/a 3.20n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL




J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001800
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-2,5-dimethyl-indol-1-...)
Show SMILES Cc1c(-c2ccc(F)cc2)c2cc(C)ccc2n1C1CCN(CCN2CCNC2=O)CC1
Show InChI InChI=1S/C26H31FN4O/c1-18-3-8-24-23(17-18)25(20-4-6-21(27)7-5-20)19(2)31(24)22-9-12-29(13-10-22)15-16-30-14-11-28-26(30)32/h3-8,17,22H,9-16H2,1-2H3,(H,28,32)
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n/an/a 3.40n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL




J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
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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n/an/a 3.40n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001814
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-7-methyl-indol-1-yl]-...)
Show SMILES Cc1cccc2c(cn(C3CCN(CCN4CCNC4=O)CC3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H29FN4O/c1-18-3-2-4-22-23(19-5-7-20(26)8-6-19)17-30(24(18)22)21-9-12-28(13-10-21)15-16-29-14-11-27-25(29)31/h2-8,17,21H,9-16H2,1H3,(H,27,31)
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n/an/a 3.60n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL




J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
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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n/an/a 4.10n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001801
PNG
(3-(4-Fluoro-phenyl)-5-methyl-1-(1-methyl-piperidin...)
Show SMILES CN1CCC(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C21H23FN2/c1-15-3-8-21-19(13-15)20(16-4-6-17(22)7-5-16)14-24(21)18-9-11-23(2)12-10-18/h3-8,13-14,18H,9-12H2,1-2H3
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n/an/a 4.5n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL




J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001809
PNG
(3-(4-Fluoro-phenyl)-2,5-dimethyl-1-(1-methyl-piper...)
Show SMILES CN1CCC(CC1)n1c(C)c(-c2ccc(F)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C22H25FN2/c1-15-4-9-21-20(14-15)22(17-5-7-18(23)8-6-17)16(2)25(21)19-10-12-24(3)13-11-19/h4-9,14,19H,10-13H2,1-3H3
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n/an/a 5.30n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL




J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001816
PNG
(1-(2-{4-[5-Chloro-3-(4-fluoro-phenyl)-indol-1-yl]-...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccc(Cl)cc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-3-6-23-21(15-18)22(17-1-4-19(26)5-2-17)16-30(23)20-7-10-28(11-8-20)13-14-29-12-9-27-24(29)31/h1-6,15-16,20H,7-14H2,(H,27,31)
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n/an/a 5.70n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL




J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001805
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-7-methyl-indol-1-yl]-...)
Show SMILES Cc1cccc2c(cn(C3=CCN(CCN4CCNC4=O)CC3)c12)-c1ccc(F)cc1 |t:9|
Show InChI InChI=1S/C25H27FN4O/c1-18-3-2-4-22-23(19-5-7-20(26)8-6-19)17-30(24(18)22)21-9-12-28(13-10-21)15-16-29-14-11-27-25(29)31/h2-9,17H,10-16H2,1H3,(H,27,31)
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n/an/a 5.80n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL




J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001802
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-indol-1-yl]-piperidin...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccccc12
Show InChI InChI=1S/C24H27FN4O/c25-19-7-5-18(6-8-19)22-17-29(23-4-2-1-3-21(22)23)20-9-12-27(13-10-20)15-16-28-14-11-26-24(28)30/h1-8,17,20H,9-16H2,(H,26,30)
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n/an/a 6.30n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001804
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-4-methyl-indol-1-yl]-...)
Show SMILES Cc1cccc2n(cc(-c3ccc(F)cc3)c12)C1CCN(CCN2CCNC2=O)CC1
Show InChI InChI=1S/C25H29FN4O/c1-18-3-2-4-23-24(18)22(19-5-7-20(26)8-6-19)17-30(23)21-9-12-28(13-10-21)15-16-29-14-11-27-25(29)31/h2-8,17,21H,9-16H2,1H3,(H,27,31)
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n/an/a 7.90n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL




J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001815
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-5-trifluoromethyl-ind...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C25H26F4N4O/c26-19-4-1-17(2-5-19)22-16-33(23-6-3-18(15-21(22)23)25(27,28)29)20-7-10-31(11-8-20)13-14-32-12-9-30-24(32)34/h1-6,15-16,20H,7-14H2,(H,30,34)
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n/an/a 9.30n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL




J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001806
PNG
(1-(2-{4-[6-Chloro-3-(4-fluoro-phenyl)-indol-1-yl]-...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-3-6-21-22(17-1-4-19(26)5-2-17)16-30(23(21)15-18)20-7-10-28(11-8-20)13-14-29-12-9-27-24(29)31/h1-6,15-16,20H,7-14H2,(H,27,31)
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n/an/a 11n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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n/an/a 12n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Compound was tested for the displacement of [3H]-spiperone from dopamine receptor D2


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001810
PNG
(3-(4-Fluoro-phenyl)-5-methyl-1-(4-methyl-piperazin...)
Show SMILES CN1CCN(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C20H22FN3/c1-15-3-8-20-18(13-15)19(16-4-6-17(21)7-5-16)14-24(20)23-11-9-22(2)10-12-23/h3-8,13-14H,9-12H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL




J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001812
PNG
(1-(2-{4-[5-Fluoro-3-(4-fluoro-phenyl)-indol-1-yl]-...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccc(F)cc12
Show InChI InChI=1S/C24H26F2N4O/c25-18-3-1-17(2-4-18)22-16-30(23-6-5-19(26)15-21(22)23)20-7-10-28(11-8-20)13-14-29-12-9-27-24(29)31/h1-6,15-16,20H,7-14H2,(H,27,31)
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n/an/a 19n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001814
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-7-methyl-indol-1-yl]-...)
Show SMILES Cc1cccc2c(cn(C3CCN(CCN4CCNC4=O)CC3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H29FN4O/c1-18-3-2-4-22-23(19-5-7-20(26)8-6-19)17-30(24(18)22)21-9-12-28(13-10-21)15-16-29-14-11-27-25(29)31/h2-8,17,21H,9-16H2,1H3,(H,27,31)
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n/an/a 23n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001811
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-...)
Show SMILES Cc1ccc2n(cc(-c3ccc(F)cc3)c2c1)C1=CCN(CCN2CCNC2=O)CC1 |t:20|
Show InChI InChI=1S/C25H27FN4O/c1-18-2-7-24-22(16-18)23(19-3-5-20(26)6-4-19)17-30(24)21-8-11-28(12-9-21)14-15-29-13-10-27-25(29)31/h2-8,16-17H,9-15H2,1H3,(H,27,31)
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n/an/a 24n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001805
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-7-methyl-indol-1-yl]-...)
Show SMILES Cc1cccc2c(cn(C3=CCN(CCN4CCNC4=O)CC3)c12)-c1ccc(F)cc1 |t:9|
Show InChI InChI=1S/C25H27FN4O/c1-18-3-2-4-22-23(19-5-7-20(26)8-6-19)17-30(24(18)22)21-9-12-28(13-10-21)15-16-29-14-11-27-25(29)31/h2-9,17H,10-16H2,1H3,(H,27,31)
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n/an/a 27n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001804
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-4-methyl-indol-1-yl]-...)
Show SMILES Cc1cccc2n(cc(-c3ccc(F)cc3)c12)C1CCN(CCN2CCNC2=O)CC1
Show InChI InChI=1S/C25H29FN4O/c1-18-3-2-4-23-24(18)22(19-5-7-20(26)8-6-19)17-30(23)21-9-12-28(13-10-21)15-16-29-14-11-27-25(29)31/h2-8,17,21H,9-16H2,1H3,(H,27,31)
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n/an/a 34n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001806
PNG
(1-(2-{4-[6-Chloro-3-(4-fluoro-phenyl)-indol-1-yl]-...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-3-6-21-22(17-1-4-19(26)5-2-17)16-30(23(21)15-18)20-7-10-28(11-8-20)13-14-29-12-9-27-24(29)31/h1-6,15-16,20H,7-14H2,(H,27,31)
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n/an/a 37n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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n/an/a 47n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Compound was tested for i the displacement of [3H]-prazosin from alpha-1 adrenergic receptor


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001813
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-...)
Show SMILES CNC(=O)N(C)CCN1CCC(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C25H31FN4O/c1-18-4-9-24-22(16-18)23(19-5-7-20(26)8-6-19)17-30(24)21-10-12-29(13-11-21)15-14-28(3)25(31)27-2/h4-9,16-17,21H,10-15H2,1-3H3,(H,27,31)
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n/an/a 54n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001816
PNG
(1-(2-{4-[5-Chloro-3-(4-fluoro-phenyl)-indol-1-yl]-...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccc(Cl)cc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-3-6-23-21(15-18)22(17-1-4-19(26)5-2-17)16-30(23)20-7-10-28(11-8-20)13-14-29-12-9-27-24(29)31/h1-6,15-16,20H,7-14H2,(H,27,31)
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n/an/a 67n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001782
PNG
((Lu 26-042)1-(2-{4-[6-Chloro-1-(4-fluoro-phenyl)-1...)
Show SMILES CC(C)N1CCN(CCN2CCC(CC2)c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)C1=O
Show InChI InChI=1S/C27H32ClFN4O/c1-19(2)32-16-15-31(27(32)34)14-13-30-11-9-20(10-12-30)25-18-33(23-6-4-22(29)5-7-23)26-17-21(28)3-8-24(25)26/h3-8,17-20H,9-16H2,1-2H3
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n/an/a 70n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001803
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-...)
Show SMILES Cc1ccc2n(cc(-c3ccc(F)cc3)c2c1)C1CCN(CCN2CCNC2=O)CC1
Show InChI InChI=1S/C25H29FN4O/c1-18-2-7-24-22(16-18)23(19-3-5-20(26)6-4-19)17-30(24)21-8-11-28(12-9-21)14-15-29-13-10-27-25(29)31/h2-7,16-17,21H,8-15H2,1H3,(H,27,31)
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n/an/a 71n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001817
PNG
(3-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-...)
Show SMILES CN(C)C(=O)NCCN1CCC(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C25H31FN4O/c1-18-4-9-24-22(16-18)23(19-5-7-20(26)8-6-19)17-30(24)21-10-13-29(14-11-21)15-12-27-25(31)28(2)3/h4-9,16-17,21H,10-15H2,1-3H3,(H,27,31)
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n/an/a 89n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001802
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-indol-1-yl]-piperidin...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccccc12
Show InChI InChI=1S/C24H27FN4O/c25-19-7-5-18(6-8-19)22-17-29(23-4-2-1-3-21(22)23)20-9-12-27(13-10-20)15-16-28-14-11-26-24(28)30/h1-8,17,20H,9-16H2,(H,26,30)
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n/an/a 120n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001782
PNG
((Lu 26-042)1-(2-{4-[6-Chloro-1-(4-fluoro-phenyl)-1...)
Show SMILES CC(C)N1CCN(CCN2CCC(CC2)c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)C1=O
Show InChI InChI=1S/C27H32ClFN4O/c1-19(2)32-16-15-31(27(32)34)14-13-30-11-9-20(10-12-30)25-18-33(23-6-4-22(29)5-7-23)26-17-21(28)3-8-24(25)26/h3-8,17-20H,9-16H2,1-2H3
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n/an/a 130n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001801
PNG
(3-(4-Fluoro-phenyl)-5-methyl-1-(1-methyl-piperidin...)
Show SMILES CN1CCC(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C21H23FN2/c1-15-3-8-21-19(13-15)20(16-4-6-17(22)7-5-16)14-24(21)18-9-11-23(2)12-10-18/h3-8,13-14,18H,9-12H2,1-2H3
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n/an/a 190n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001815
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-5-trifluoromethyl-ind...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C25H26F4N4O/c26-19-4-1-17(2-5-19)22-16-33(23-6-3-18(15-21(22)23)25(27,28)29)20-7-10-31(11-8-20)13-14-32-12-9-30-24(32)34/h1-6,15-16,20H,7-14H2,(H,30,34)
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n/an/a 190n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)


BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
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