new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 225 hits with Last Name = 'pedretti' and Initial = 'a'   
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
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a



Università di Milano Pietro Pratesi

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAchR in rat brain cortex membrane


Bioorg Med Chem Lett 19: 854-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.002
BindingDB Entry DOI: 10.7270/Q29K4B2T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50351066
PNG
(CHEMBL1819456)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(c[nH]c3c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C25H27N5O3/c1-33-21-10-6-5-9-20(21)29-14-11-28(12-15-29)13-16-30-24(31)23-22(27-25(30)32)19(17-26-23)18-7-3-2-4-8-18/h2-10,17,26H,11-16H2,1H3,(H,27,32)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
13.4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50351050
PNG
(CHEMBL1819464)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C31H31N5O4/c1-39-28-10-6-5-9-27(28)35-18-15-34(16-19-35)17-20-36-30(37)25-21-26(32-29(25)33-31(36)38)22-11-13-24(14-12-22)40-23-7-3-2-4-8-23/h2-14,21,32H,15-20H2,1H3,(H,33,38)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
17.1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50351062
PNG
(CHEMBL1819452)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccco2)CC1
Show InChI InChI=1S/C23H25N5O4/c1-31-20-6-3-2-5-18(20)27-11-8-26(9-12-27)10-13-28-22(29)21-17(25-23(28)30)15-16(24-21)19-7-4-14-32-19/h2-7,14-15,24H,8-13H2,1H3,(H,25,30)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
28.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50351069
PNG
(CHEMBL1819459)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(c[nH]c3c2=O)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C25H26ClN5O3/c1-34-21-5-3-2-4-20(21)30-13-10-29(11-14-30)12-15-31-24(32)23-22(28-25(31)33)19(16-27-23)17-6-8-18(26)9-7-17/h2-9,16,27H,10-15H2,1H3,(H,28,33)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
32.6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50351067
PNG
(CHEMBL1819457)
Show SMILES Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(c[nH]c3c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C24H24ClN5O2/c25-19-8-4-5-9-20(19)29-13-10-28(11-14-29)12-15-30-23(31)22-21(27-24(30)32)18(16-26-22)17-6-2-1-3-7-17/h1-9,16,26H,10-15H2,(H,27,32)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
43.1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50351064
PNG
(CHEMBL1819454)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)C(C)(C)C)CC1
Show InChI InChI=1S/C23H31N5O3/c1-23(2,3)19-15-16-20(25-19)21(29)28(22(30)24-16)14-11-26-9-12-27(13-10-26)17-7-5-6-8-18(17)31-4/h5-8,15,25H,9-14H2,1-4H3,(H,24,30)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
46.7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50006952
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
KEGG

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50351065
PNG
(CHEMBL1819455)
Show SMILES CC(C)(C)c1cc2[nH]c(=O)n(CCN3CCN(CC3)c3ccccc3Cl)c(=O)c2[nH]1
Show InChI InChI=1S/C22H28ClN5O2/c1-22(2,3)18-14-16-19(25-18)20(29)28(21(30)24-16)13-10-26-8-11-27(12-9-26)17-7-5-4-6-15(17)23/h4-7,14,25H,8-13H2,1-3H3,(H,24,30)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
65.2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50351068
PNG
(CHEMBL1819458)
Show SMILES Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(c[nH]c3c2=O)-c2ccccc2Cl)CC1
Show InChI InChI=1S/C24H23Cl2N5O2/c25-18-6-2-1-5-16(18)17-15-27-22-21(17)28-24(33)31(23(22)32)14-11-29-9-12-30(13-10-29)20-8-4-3-7-19(20)26/h1-8,15,27H,9-14H2,(H,28,33)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
81.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50351060
PNG
(CHEMBL1819474)
Show SMILES COc1ccc(cc1)-c1cc2c([nH]1)n(Cc1ccccc1OC)c(=O)n(CCN1CCN(CC1)c1ccccc1OC)c2=O
Show InChI InChI=1S/C34H37N5O5/c1-42-26-14-12-24(13-15-26)28-22-27-32(35-28)39(23-25-8-4-6-10-30(25)43-2)34(41)38(33(27)40)21-18-36-16-19-37(20-17-36)29-9-5-7-11-31(29)44-3/h4-15,22,35H,16-21,23H2,1-3H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
184n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50351058
PNG
(CHEMBL1819472)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)n(Cc3ccccc3)c3[nH]c(cc3c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C32H33N5O3/c1-40-29-15-9-8-14-28(29)35-19-16-34(17-20-35)18-21-36-31(38)26-22-27(25-12-6-3-7-13-25)33-30(26)37(32(36)39)23-24-10-4-2-5-11-24/h2-15,22,33H,16-21,23H2,1H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
198n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50351063
PNG
(CHEMBL1819453)
Show SMILES Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccco2)CC1
Show InChI InChI=1S/C22H22ClN5O3/c23-15-4-1-2-5-18(15)27-10-7-26(8-11-27)9-12-28-21(29)20-17(25-22(28)30)14-16(24-20)19-6-3-13-31-19/h1-6,13-14,24H,7-12H2,(H,25,30)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
220n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
234n/an/an/an/an/an/an/an/a



Università di Milano Pietro Pratesi

Curated by ChEMBL


Assay Description
Displacement of [125I]alphaBungarotoxin from alpha7 nAchR in rat brain cortex membrane


Bioorg Med Chem Lett 19: 854-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.002
BindingDB Entry DOI: 10.7270/Q29K4B2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50194315
PNG
((2R,2'S)-2-(1-methyl-2-pyrrolidinyl)-1,4-benzodiox...)
Show SMILES CN1CCC[C@H]1[C@@H]1COc2ccccc2O1
Show InChI InChI=1S/C13H17NO2/c1-14-8-4-5-10(14)13-9-15-11-6-2-3-7-12(11)16-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3/t10-,13-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
260n/an/an/an/an/an/an/an/a



Università di Milano Pietro Pratesi

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAchR in rat brain cortex membrane


Bioorg Med Chem Lett 19: 854-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.002
BindingDB Entry DOI: 10.7270/Q29K4B2T
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))
BDBM50169218
PNG
((S)-2-[(S)-2-[(S)-2-Amino-3-(1H-indol-3-yl)-propio...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C33H32N6O4/c34-25(13-19-16-35-26-10-4-1-7-22(19)26)31(40)38-29(14-20-17-36-27-11-5-2-8-23(20)27)32(41)39-30(33(42)43)15-21-18-37-28-12-6-3-9-24(21)28/h1-12,16-18,25,29-30,35-37H,13-15,34H2,(H,38,40)(H,39,41)(H,42,43)/t25-,29-,30-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
300n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50175312
PNG
(6-(4-chlorophenyl)-3-(2-(4-(2-methoxyphenyl)pipera...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C25H26ClN5O3/c1-34-22-5-3-2-4-21(22)30-13-10-29(11-14-30)12-15-31-24(32)19-16-20(27-23(19)28-25(31)33)17-6-8-18(26)9-7-17/h2-9,16,27H,10-15H2,1H3,(H,28,33)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
401n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50351056
PNG
(CHEMBL1819470)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(c(-c4ccccc4)c3c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C31H31N5O3/c1-39-25-15-9-8-14-24(25)35-19-16-34(17-20-35)18-21-36-30(37)27-26(22-10-4-2-5-11-22)28(23-12-6-3-7-13-23)32-29(27)33-31(36)38/h2-15,32H,16-21H2,1H3,(H,33,38)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
466n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50256279
PNG
((2S,2'S)-2-(1-methyl-2-pyrrolidinyl)-1,4-benzodiox...)
Show SMILES CN1CCC[C@H]1[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C13H17NO2/c1-14-8-4-5-10(14)13-9-15-11-6-2-3-7-12(11)16-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3/t10-,13+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
470n/an/an/an/an/an/an/an/a



Università di Milano Pietro Pratesi

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAchR in rat brain cortex membrane


Bioorg Med Chem Lett 19: 854-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.002
BindingDB Entry DOI: 10.7270/Q29K4B2T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50351052
PNG
(CHEMBL1819466)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccc(OCc3ccccc3)cc2)CC1
Show InChI InChI=1S/C32H33N5O4/c1-40-29-10-6-5-9-28(29)36-18-15-35(16-19-36)17-20-37-31(38)26-21-27(33-30(26)34-32(37)39)24-11-13-25(14-12-24)41-22-23-7-3-2-4-8-23/h2-14,21,33H,15-20,22H2,1H3,(H,34,39)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
784n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))
BDBM50188479
PNG
((S)-2-[(S)-2-Amino-3-(1H-indol-3-yl)-propionylamin...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C22H22N4O3/c23-17(9-13-11-24-18-7-3-1-5-15(13)18)21(27)26-20(22(28)29)10-14-12-25-19-8-4-2-6-16(14)19/h1-8,11-12,17,20,24-25H,9-10,23H2,(H,26,27)(H,28,29)/t17-,20-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
800n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50351059
PNG
(CHEMBL1819473)
Show SMILES Clc1ccccc1N1CCN(CCn2c(=O)n(Cc3ccccc3)c3[nH]c(cc3c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C31H30ClN5O2/c32-26-13-7-8-14-28(26)35-18-15-34(16-19-35)17-20-36-30(38)25-21-27(24-11-5-2-6-12-24)33-29(25)37(31(36)39)22-23-9-3-1-4-10-23/h1-14,21,33H,15-20,22H2
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.02E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50175316
PNG
(6-(4-chlorophenyl)-3-(2-(4-(2-chlorophenyl)piperaz...)
Show SMILES Clc1ccc(cc1)-c1cc2c([nH]1)[nH]c(=O)n(CCN1CCN(CC1)c1ccccc1Cl)c2=O
Show InChI InChI=1S/C24H23Cl2N5O2/c25-17-7-5-16(6-8-17)20-15-18-22(27-20)28-24(33)31(23(18)32)14-11-29-9-12-30(13-10-29)21-4-2-1-3-19(21)26/h1-8,15,27H,9-14H2,(H,28,33)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.51E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50351057
PNG
(CHEMBL1819471)
Show SMILES Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(c(-c4ccccc4)c3c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C30H28ClN5O2/c31-23-13-7-8-14-24(23)35-18-15-34(16-19-35)17-20-36-29(37)26-25(21-9-3-1-4-10-21)27(22-11-5-2-6-12-22)32-28(26)33-30(36)38/h1-14,32H,15-20H2,(H,33,38)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.54E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))
BDBM50169115
PNG
((S)-2-{2-[(S)-2-Amino-3-(1H-indol-3-yl)-propionyla...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C22H24N4O5/c23-17(10-14-11-24-18-4-2-1-3-16(14)18)21(29)25-12-20(28)26-19(22(30)31)9-13-5-7-15(27)8-6-13/h1-8,11,17,19,24,27H,9-10,12,23H2,(H,25,29)(H,26,28)(H,30,31)/t17-,19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))
BDBM50169153
PNG
((S)-2-[(S)-2-((S)-2-Amino-4-methylsulfanyl-butyryl...)
Show SMILES CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C15H29N3O4S3/c1-23-7-4-10(16)13(19)17-11(5-8-24-2)14(20)18-12(15(21)22)6-9-25-3/h10-12H,4-9,16H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)/t10-,11-,12-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50256280
PNG
((2R,2'S)-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)py...)
Show SMILES C1CN[C@@H](C1)[C@@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C12H15NO2/c1-2-6-11-10(5-1)14-8-12(15-11)9-4-3-7-13-9/h1-2,5-6,9,12-13H,3-4,7-8H2/t9-,12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.10E+3n/an/an/an/an/an/an/an/a



Università di Milano Pietro Pratesi

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAchR in rat brain cortex membrane


Bioorg Med Chem Lett 19: 854-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.002
BindingDB Entry DOI: 10.7270/Q29K4B2T
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))
BDBM50169147
PNG
((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(4-hyd...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C14H20N2O4/c1-8(2)12(15)13(18)16-11(14(19)20)7-9-3-5-10(17)6-4-9/h3-6,8,11-12,17H,7,15H2,1-2H3,(H,16,18)(H,19,20)/t11-,12-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50256181
PNG
((5S,2'S)-5-(1-methyl-2-pyrrolidinyl)oxazolidinone ...)
Show SMILES CN1CCC[C@H]1[C@@H]1CNC(=O)O1 |r|
Show InChI InChI=1S/C8H14N2O2/c1-10-4-2-3-6(10)7-5-9-8(11)12-7/h6-7H,2-5H2,1H3,(H,9,11)/t6-,7-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.70E+3n/an/an/an/an/an/an/an/a



Università di Milano Pietro Pratesi

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAchR in rat brain cortex membrane


Bioorg Med Chem Lett 19: 854-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.002
BindingDB Entry DOI: 10.7270/Q29K4B2T
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))
BDBM50350467
PNG
(BL-S578 | CEFADROXIL | Cefadrops)
Show SMILES CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)C2=O)C(O)=O |r,t:1|
Show InChI InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))
BDBM50350482
PNG
(CHEMBL1222165)
Show SMILES CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(O)=O |r|
Show InChI InChI=1S/C10H20N2O3S2/c1-16-5-3-7(11)9(13)12-8(10(14)15)4-6-17-2/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))
BDBM50188530
PNG
((S)-2-(2-Amino-acetylamino)-propionic acid | CHEMB...)
Show SMILES C[C@H](NC(=O)CN)C(O)=O
Show InChI InChI=1S/C5H10N2O3/c1-3(5(9)10)7-4(8)2-6/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.50E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50351072
PNG
(CHEMBL1819462)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C31H31N5O3/c1-39-28-10-6-5-9-27(28)35-18-15-34(16-19-35)17-20-36-30(37)25-21-26(32-29(25)33-31(36)38)24-13-11-23(12-14-24)22-7-3-2-4-8-22/h2-14,21,32H,15-20H2,1H3,(H,33,38)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.68E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))
BDBM50142287
PNG
((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-phenyl...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H20N2O3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.80E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))
BDBM50169160
PNG
((S)-2-((S)-2-amino-3-(1H-indol-3-yl)propanamido)pr...)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C14H17N3O3/c1-8(14(19)20)17-13(18)11(15)6-9-7-16-12-5-3-2-4-10(9)12/h2-5,7-8,11,16H,6,15H2,1H3,(H,17,18)(H,19,20)/t8-,11-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))
BDBM50169129
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyla...)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C12H16N2O4/c1-7(12(17)18)14-11(16)10(13)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50351061
PNG
(CHEMBL1819475)
Show SMILES COc1ccc(cc1)-c1cc2c([nH]1)n(Cc1ccccc1OC)c(=O)n(CCN1CCN(CC1)c1ccccc1Cl)c2=O
Show InChI InChI=1S/C33H34ClN5O4/c1-42-25-13-11-23(12-14-25)28-21-26-31(35-28)39(22-24-7-3-6-10-30(24)43-2)33(41)38(32(26)40)20-17-36-15-18-37(19-16-36)29-9-5-4-8-27(29)34/h3-14,21,35H,15-20,22H2,1-2H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.67E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50351051
PNG
(CHEMBL1819465)
Show SMILES Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C30H28ClN5O3/c31-25-8-4-5-9-27(25)35-17-14-34(15-18-35)16-19-36-29(37)24-20-26(32-28(24)33-30(36)38)21-10-12-23(13-11-21)39-22-6-2-1-3-7-22/h1-13,20,32H,14-19H2,(H,33,38)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.72E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))
BDBM50350480
PNG
(CHEMBL1814495)
Show SMILES C[C@H](NC(=O)[C@H](CCCCN)NCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C16H25N3O3/c1-12(16(21)22)19-15(20)14(9-5-6-10-17)18-11-13-7-3-2-4-8-13/h2-4,7-8,12,14,18H,5-6,9-11,17H2,1H3,(H,19,20)(H,21,22)/t12-,14-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))
BDBM50169132
PNG
((S)-2-((S)-2-Amino-propionylamino)-3-hydroxy-propi...)
Show SMILES C[C@H](N)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C6H12N2O4/c1-3(7)5(10)8-4(2-9)6(11)12/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3-,4-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
6.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))
BDBM50350477
PNG
(CHEMBL1814492)
Show SMILES CSCC[C@@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(O)=O |r|
Show InChI InChI=1S/C15H29N3O4S3/c1-23-7-4-10(16)13(19)17-11(5-8-24-2)14(20)18-12(15(21)22)6-9-25-3/h10-12H,4-9,16H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)/t10-,11+,12+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
6.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))
BDBM50016695
PNG
((2S)-2-{[(2S)-2-aminopropanoyl]amino}propanoic aci...)
Show SMILES C[C@H](N)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
6.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))
BDBM50169210
PNG
(((S)-2-Amino-propionylamino)-acetic acid | (3-Amin...)
Show SMILES C[C@H](N)C(=O)NCC(O)=O
Show InChI InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)/t3-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
7.08E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))
BDBM50169164
PNG
((S)-2-((S)-2-Amino-3-hydroxy-propionylamino)-propi...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CO)C(O)=O
Show InChI InChI=1S/C6H12N2O4/c1-3(6(11)12)8-5(10)4(7)2-9/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3-,4-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
7.08E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))
BDBM50038069
PNG
((S)-2-((2S,3S)-2-Amino-3-methyl-pentanoylamino)-3-...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C15H22N2O4/c1-3-9(2)13(16)14(19)17-12(15(20)21)8-10-4-6-11(18)7-5-10/h4-7,9,12-13,18H,3,8,16H2,1-2H3,(H,17,19)(H,20,21)/t9-,12-,13-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
8.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))
BDBM50169188
PNG
((S)-2-[(S)-2-((S)-2-Amino-3-methyl-butyrylamino)-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(O)=O
Show InChI InChI=1S/C14H27N3O4/c1-7(2)6-10(14(20)21)17-12(18)9(5)16-13(19)11(15)8(3)4/h7-11H,6,15H2,1-5H3,(H,16,19)(H,17,18)(H,20,21)/t9-,10-,11-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
9.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))
BDBM50169178
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyla...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C18H20N2O4/c19-15(10-13-6-8-14(21)9-7-13)17(22)20-16(18(23)24)11-12-4-2-1-3-5-12/h1-9,15-16,21H,10-11,19H2,(H,20,22)(H,23,24)/t15-,16-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
9.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50351071
PNG
(CHEMBL1819461)
Show SMILES Cc1ccc(cc1)-c1c[nH]c2c1[nH]c(=O)n(CCN1CCN(CC1)c1ccccc1Cl)c2=O
Show InChI InChI=1S/C25H26ClN5O2/c1-17-6-8-18(9-7-17)19-16-27-23-22(19)28-25(33)31(24(23)32)15-12-29-10-13-30(14-11-29)21-5-3-2-4-20(21)26/h2-9,16,27H,10-15H2,1H3,(H,28,33)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50351070
PNG
(CHEMBL1819460)
Show SMILES Clc1ccc(cc1)-c1c[nH]c2c1[nH]c(=O)n(CCN1CCN(CC1)c1ccccc1Cl)c2=O
Show InChI InChI=1S/C24H23Cl2N5O2/c25-17-7-5-16(6-8-17)18-15-27-22-21(18)28-24(33)31(23(22)32)14-11-29-9-12-30(13-10-29)20-4-2-1-3-19(20)26/h1-8,15,27H,9-14H2,(H,28,33)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50164350
PNG
(6-(4-Chloro-phenyl)-3-{2-[4-(2-chloro-phenyl)-pipe...)
Show SMILES Clc1ccc(cc1)-c1cc2[nH]c(=O)n(CCN3CCN(CC3)c3ccccc3Cl)c(=O)c2[nH]1
Show InChI InChI=1S/C24H23Cl2N5O2/c25-17-7-5-16(6-8-17)19-15-20-22(27-19)23(32)31(24(33)28-20)14-11-29-9-12-30(13-10-29)21-4-2-1-3-18(21)26/h1-8,15,27H,9-14H2,(H,28,33)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 225 total )  |  Next  |  Last  >>
Jump to: