Found 200 hits with Last Name = 'mavel' and Initial = 's' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50073436
((2-(2-((dimethylamino)methyl)phenylthio)-5-iodophe...)Show InChI InChI=1S/C16H18INOS/c1-18(2)10-12-5-3-4-6-15(12)20-16-8-7-14(17)9-13(16)11-19/h3-9,19H,10-11H2,1-2H3 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [125I]IPT from SERT in rat brain cortex membrane |
Bioorg Med Chem 16: 9050-5 (2008)
Article DOI: 10.1016/j.bmc.2008.08.002
BindingDB Entry DOI: 10.7270/Q21G0M3J |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50154365
(2-(2-((dimethylamino)methyl)phenoxy)-5-iodoaniline...)Show InChI InChI=1S/C15H17IN2O/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.171 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human cloned SERT expressed in HEK293 cells |
Bioorg Med Chem 18: 236-41 (2010)
Article DOI: 10.1016/j.bmc.2009.10.062
BindingDB Entry DOI: 10.7270/Q2348KFT |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50255753
(CHEMBL481611 | MK-0822 | Odanacatib)Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H27F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,20-21,31H,12-14H2,1-3H3,(H,32,33)/t20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
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CHEMBL
MCE
PC cid
PC sid
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| Article
PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UPR 4301
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin K |
Eur J Med Chem 144: 201-210 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.012
BindingDB Entry DOI: 10.7270/Q2MP55ZM |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110577
(2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...)Show InChI InChI=1S/C15H17IN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3 | PDB
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PC sid
UniChem
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| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50178936
(2-(2-((dimethylamino)methyl)phenoxy)-5-methylbenze...)Show InChI InChI=1S/C16H20N2O/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3 | PDB
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| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from SERT |
Bioorg Med Chem Lett 16: 1297-300 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.066
BindingDB Entry DOI: 10.7270/Q2Z037R6 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50363762
(CHEMBL1947088)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C(I)=C\C(F)(F)F |r,THB:19:18:4.10.9:7.6| Show InChI InChI=1S/C20H23F3INO2/c1-12-3-5-13(6-4-12)16-9-15-7-8-17(18(16)19(26)27-2)25(15)11-14(24)10-20(21,22)23/h3-6,10,15-18H,7-9,11H2,1-2H3/b14-10-/t15-,16+,17+,18-/m0/s1 | NCI pathway
Reactome pathway
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PC cid
PC sid
UniChem
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| Article
PubMed
| 0.870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN35428 from human cloned DAT receptor expressed in human HEK293 cells |
Bioorg Med Chem 20: 1388-95 (2012)
Article DOI: 10.1016/j.bmc.2012.01.014
BindingDB Entry DOI: 10.7270/Q26T0N3Z |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50264817
(CHEMBL491028 | N-(5-chloro-2-(2-((dimethylamino)me...)Show SMILES CN(C)Cc1ccccc1Sc1ccc(Cl)cc1NC(=O)c1ccc(F)cc1 Show InChI InChI=1S/C22H20ClFN2OS/c1-26(2)14-16-5-3-4-6-20(16)28-21-12-9-17(23)13-19(21)25-22(27)15-7-10-18(24)11-8-15/h3-13H,14H2,1-2H3,(H,25,27) | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [125I]IDAM from SERT in rat brain cortex membrane |
Bioorg Med Chem 16: 9050-5 (2008)
Article DOI: 10.1016/j.bmc.2008.08.002
BindingDB Entry DOI: 10.7270/Q21G0M3J |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110782
(CHEMBL429065 | [5-Iodo-2-(2-methylaminomethyl-phen...)Show InChI InChI=1S/C15H16INOS/c1-17-9-11-4-2-3-5-14(11)19-15-7-6-13(16)8-12(15)10-18/h2-8,17-18H,9-10H2,1H3 | PDB
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PC sid
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| 0.980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110780
(5-Iodo-2-(2-methylaminomethyl-phenylsulfanyl)-phen...)Show InChI InChI=1S/C14H15IN2S/c1-17-9-10-4-2-3-5-13(10)18-14-7-6-11(15)8-12(14)16/h2-8,17H,9,16H2,1H3 | PDB
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| 1.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110777
(5-Bromo-2-(2-methylaminomethyl-phenylsulfanyl)-phe...)Show InChI InChI=1S/C14H15BrN2S/c1-17-9-10-4-2-3-5-13(10)18-14-7-6-11(15)8-12(14)16/h2-8,17H,9,16H2,1H3 | PDB
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| 1.49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50110788
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3 | PDB
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PC sid
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| Article
PubMed
| 1.65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human cloned SERT expressed in HEK293 cells |
Bioorg Med Chem 18: 236-41 (2010)
Article DOI: 10.1016/j.bmc.2009.10.062
BindingDB Entry DOI: 10.7270/Q2348KFT |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110788
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3 | PDB
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| 1.65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50110788
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3 | PDB
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| 1.65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from SERT |
Bioorg Med Chem Lett 16: 1297-300 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.066
BindingDB Entry DOI: 10.7270/Q2Z037R6 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110788
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3 | PDB
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| Article
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]MADAM from SERT in rat brain cortex membrane |
Bioorg Med Chem 16: 9050-5 (2008)
Article DOI: 10.1016/j.bmc.2008.08.002
BindingDB Entry DOI: 10.7270/Q21G0M3J |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110788
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3 | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from SERT in rat brain cortex membrane |
Bioorg Med Chem 16: 9050-5 (2008)
Article DOI: 10.1016/j.bmc.2008.08.002
BindingDB Entry DOI: 10.7270/Q21G0M3J |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50073438
(CHEMBL278165 | [5-Bromo-2-(2-dimethylaminomethyl-p...)Show InChI InChI=1S/C16H18BrNOS/c1-18(2)10-12-5-3-4-6-15(12)20-16-8-7-14(17)9-13(16)11-19/h3-9,19H,10-11H2,1-2H3 | PDB
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| 1.92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110781
(5-Bromo-2-(2-dimethylaminomethyl-phenylsulfanyl)-p...)Show InChI InChI=1S/C15H17BrN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3 | PDB
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| 2.23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110784
(CHEMBL284002 | [2-(4-Iodo-2-methoxymethyl-phenylsu...)Show InChI InChI=1S/C17H20INOS/c1-19(2)11-13-6-4-5-7-16(13)21-17-9-8-15(18)10-14(17)12-20-3/h4-10H,11-12H2,1-3H3 | PDB
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110786
(CHEMBL22259 | [2-(4-Bromo-2-methoxymethyl-phenylsu...)Show InChI InChI=1S/C17H20BrNOS/c1-19(2)11-13-6-4-5-7-16(13)21-17-9-8-15(18)10-14(17)12-20-3/h4-10H,11-12H2,1-3H3 | PDB
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| 2.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50464766
(CHEMBL4292287)Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(C)=O)C(=O)NNC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C71H101N25O16S/c1-37(59(102)87-47(58(72)101)17-9-24-78-69(73)74)84-60(103)49(21-22-57(99)100)88-62(105)52(30-41-33-82-46-16-8-6-14-44(41)46)91-66(109)54-19-11-26-95(54)67(110)38(2)85-71(112)94-93-64(107)50(23-28-113-4)89-65(108)55-20-12-27-96(55)68(111)53(31-42-34-77-36-83-42)92-63(106)51(29-40-32-81-45-15-7-5-13-43(40)45)90-61(104)48(18-10-25-79-70(75)76)86-56(98)35-80-39(3)97/h5-8,13-16,32-34,36-38,47-55,81-82H,9-12,17-31,35H2,1-4H3,(H2,72,101)(H,77,83)(H,80,97)(H,84,103)(H,86,98)(H,87,102)(H,88,105)(H,89,108)(H,90,104)(H,91,109)(H,92,106)(H,93,107)(H,99,100)(H4,73,74,78)(H4,75,76,79)(H2,85,94,112)/t37-,38+,47-,48+,49+,50+,51+,52+,53+,54+,55+/m1/s1 | PDB
MMDB
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| PC cid
PC sid
UniChem
| Article
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UPR 4301
Curated by ChEMBL
| Assay Description
Reversible competitive inhibition of human cathepsin K using fluorogenic AMC-derived peptide substrate assessed as reduction in residual activity pre... |
Eur J Med Chem 144: 201-210 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.012
BindingDB Entry DOI: 10.7270/Q2MP55ZM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50329778
((-)-(R,R)-5-Fluoro-3-(4-phenyl-piperidin-1-yl)-1,2...)Show SMILES O[C@@H]1Cc2cccc(F)c2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C21H24FNO/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2/t20-,21-/m1/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat cortical membranes after 120 mins |
Bioorg Med Chem 18: 7659-67 (2010)
Article DOI: 10.1016/j.bmc.2010.08.028
BindingDB Entry DOI: 10.7270/Q2PK0GCD |
More data for this
Ligand-Target Pair | |
Vesicular acetylcholine transporter
(Rattus norvegicus) | BDBM50329778
((-)-(R,R)-5-Fluoro-3-(4-phenyl-piperidin-1-yl)-1,2...)Show SMILES O[C@@H]1Cc2cccc(F)c2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C21H24FNO/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2/t20-,21-/m1/s1 | PDB
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| 3.68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cells after 60 mins |
Bioorg Med Chem 18: 7659-67 (2010)
Article DOI: 10.1016/j.bmc.2010.08.028
BindingDB Entry DOI: 10.7270/Q2PK0GCD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50178934
(2-(2-((dimethylamino)methyl)phenylsulfinyl)-5-meth...)Show InChI InChI=1S/C16H20N2OS/c1-12-8-9-16(14(17)10-12)20(19)15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3 | PDB
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| 4.15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from SERT |
Bioorg Med Chem Lett 16: 1297-300 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.066
BindingDB Entry DOI: 10.7270/Q2Z037R6 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50464766
(CHEMBL4292287)Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(C)=O)C(=O)NNC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C71H101N25O16S/c1-37(59(102)87-47(58(72)101)17-9-24-78-69(73)74)84-60(103)49(21-22-57(99)100)88-62(105)52(30-41-33-82-46-16-8-6-14-44(41)46)91-66(109)54-19-11-26-95(54)67(110)38(2)85-71(112)94-93-64(107)50(23-28-113-4)89-65(108)55-20-12-27-96(55)68(111)53(31-42-34-77-36-83-42)92-63(106)51(29-40-32-81-45-15-7-5-13-43(40)45)90-61(104)48(18-10-25-79-70(75)76)86-56(98)35-80-39(3)97/h5-8,13-16,32-34,36-38,47-55,81-82H,9-12,17-31,35H2,1-4H3,(H2,72,101)(H,77,83)(H,80,97)(H,84,103)(H,86,98)(H,87,102)(H,88,105)(H,89,108)(H,90,104)(H,91,109)(H,92,106)(H,93,107)(H,99,100)(H4,73,74,78)(H4,75,76,79)(H2,85,94,112)/t37-,38+,47-,48+,49+,50+,51+,52+,53+,54+,55+/m1/s1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UPR 4301
Curated by ChEMBL
| Assay Description
Reversible competitive inhibition of human cathepsin L using fluorogenic AMC-derived peptide substrate assessed as reduction in residual activity pre... |
Eur J Med Chem 144: 201-210 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.012
BindingDB Entry DOI: 10.7270/Q2MP55ZM |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50073438
(CHEMBL278165 | [5-Bromo-2-(2-dimethylaminomethyl-p...)Show InChI InChI=1S/C16H18BrNOS/c1-18(2)10-12-5-3-4-6-15(12)20-16-8-7-14(17)9-13(16)11-19/h3-9,19H,10-11H2,1-2H3 | PDB
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| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-nisoxatine binding to norepinephrine transporter (NET) of rat cortical homogenates |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this
Ligand-Target Pair | |
Vesicular acetylcholine transporter
(Rattus norvegicus) | BDBM50329777
((+)-(S,S)-5-Fluoro-3-(4-phenyl-piperidin-1-yl)-1,2...)Show SMILES O[C@H]1Cc2cccc(F)c2C[C@@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C21H24FNO/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2/t20-,21-/m0/s1 | PDB
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| 6.95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cells after 60 mins |
Bioorg Med Chem 18: 7659-67 (2010)
Article DOI: 10.1016/j.bmc.2010.08.028
BindingDB Entry DOI: 10.7270/Q2PK0GCD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50308670
(CHEMBL589178 | N,N-Dimethyl-5-(3-fluoropropoxy)-2-...)Show InChI InChI=1S/C19H25FN2O2/c1-14-5-7-19(17(21)11-14)24-18-8-6-16(23-10-4-9-20)12-15(18)13-22(2)3/h5-8,11-12H,4,9-10,13,21H2,1-3H3 | PDB
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human cloned SERT expressed in HEK293 cells |
Bioorg Med Chem 18: 236-41 (2010)
Article DOI: 10.1016/j.bmc.2009.10.062
BindingDB Entry DOI: 10.7270/Q2348KFT |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50308666
(4-Fluoro-N,N-dimethyl-2-(2-amino-4-methylphenoxy)-...)Show InChI InChI=1S/C16H19FN2O/c1-11-4-7-15(14(18)8-11)20-16-9-13(17)6-5-12(16)10-19(2)3/h4-9H,10,18H2,1-3H3 | PDB
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human cloned SERT expressed in HEK293 cells |
Bioorg Med Chem 18: 236-41 (2010)
Article DOI: 10.1016/j.bmc.2009.10.062
BindingDB Entry DOI: 10.7270/Q2348KFT |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110783
(CHEMBL22743 | [2-(2-Dimethylaminomethyl-phenylsulf...)Show InChI InChI=1S/C16H18FNOS/c1-18(2)10-12-5-3-4-6-15(12)20-16-8-7-14(17)9-13(16)11-19/h3-9,19H,10-11H2,1-2H3 | PDB
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| 7.96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50218672
(2-(2-((dimethylamino)methyl)-4-fluorophenoxy)-5-me...)Show InChI InChI=1S/C16H19FN2O/c1-11-4-6-16(14(18)8-11)20-15-7-5-13(17)9-12(15)10-19(2)3/h4-9H,10,18H2,1-3H3 | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human cloned SERT expressed in HEK293 cells |
Bioorg Med Chem 18: 236-41 (2010)
Article DOI: 10.1016/j.bmc.2009.10.062
BindingDB Entry DOI: 10.7270/Q2348KFT |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50264818
(CHEMBL490416 | N-(5-bromo-2-(2-((dimethylamino)met...)Show SMILES CN(C)Cc1ccccc1Sc1ccc(Br)cc1NC(=O)c1ccc(F)cc1 Show InChI InChI=1S/C22H20BrFN2OS/c1-26(2)14-16-5-3-4-6-20(16)28-21-12-9-17(23)13-19(21)25-22(27)15-7-10-18(24)11-8-15/h3-13H,14H2,1-2H3,(H,25,27) | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [125I]IDAM from SERT in rat brain cortex membrane |
Bioorg Med Chem 16: 9050-5 (2008)
Article DOI: 10.1016/j.bmc.2008.08.002
BindingDB Entry DOI: 10.7270/Q21G0M3J |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50464764
(CHEMBL4287663)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(N)cc1)C(=O)N[C@@H](Cc1ccc(O)c(c1)[N+]([O-])=O)C(N)=O |r| Show InChI InChI=1S/C65H86N20O15/c66-41-24-22-40(23-25-41)54(89)75-43(17-8-28-73-64(70)71)60(95)84-31-11-20-50(84)62(97)83-30-10-19-49(83)59(94)80-81-65(98)79-46(33-38-14-5-2-6-15-38)57(92)78-47(36-86)61(96)82-29-9-18-48(82)58(93)77-45(32-37-12-3-1-4-13-37)56(91)74-42(16-7-27-72-63(68)69)55(90)76-44(53(67)88)34-39-21-26-52(87)51(35-39)85(99)100/h1-6,12-15,21-26,35,42-50,86-87H,7-11,16-20,27-34,36,66H2,(H2,67,88)(H,74,91)(H,75,89)(H,76,90)(H,77,93)(H,78,92)(H,80,94)(H4,68,69,72)(H4,70,71,73)(H2,79,81,98)/t42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 | PDB
MMDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UPR 4301
Curated by ChEMBL
| Assay Description
Reversible competitive inhibition of human cathepsin K using fluorogenic AMC-derived peptide substrate assessed as reduction in residual activity pre... |
Eur J Med Chem 144: 201-210 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.012
BindingDB Entry DOI: 10.7270/Q2MP55ZM |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50265295
(CHEMBL497140 | N,N-Dimethyl-2-[2-(N-4-fluorobenzyl...)Show InChI InChI=1S/C23H25FN2S/c1-17-8-13-23(27-22-7-5-4-6-19(22)16-26(2)3)21(14-17)25-15-18-9-11-20(24)12-10-18/h4-14,25H,15-16H2,1-3H3 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]MADAM from SERT in rat brain cortex membrane |
Bioorg Med Chem 16: 9050-5 (2008)
Article DOI: 10.1016/j.bmc.2008.08.002
BindingDB Entry DOI: 10.7270/Q21G0M3J |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50178935
(CHEMBL383422 | N1-(2-((dimethylamino)methyl)phenyl...)Show InChI InChI=1S/C16H21N3/c1-12-8-9-16(14(17)10-12)18-15-7-5-4-6-13(15)11-19(2)3/h4-10,18H,11,17H2,1-3H3 | PDB
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| 10.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from SERT |
Bioorg Med Chem Lett 16: 1297-300 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.066
BindingDB Entry DOI: 10.7270/Q2Z037R6 |
More data for this
Ligand-Target Pair | |
Vesicular acetylcholine transporter
(Rattus norvegicus) | BDBM50329776
((rac)-5-Fluoro-3-(4-phenyl-piperidin-1-yl)-1,2,3,4...)Show InChI InChI=1S/C21H24FNO/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2 | PDB
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| 10.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cells after 60 mins |
Bioorg Med Chem 18: 7659-67 (2010)
Article DOI: 10.1016/j.bmc.2010.08.028
BindingDB Entry DOI: 10.7270/Q2PK0GCD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50308671
(CHEMBL589179 | N,N-Dimethyl-5-(4-fluorobutoxy)-2-(...)Show InChI InChI=1S/C20H27FN2O2/c1-15-6-8-20(18(22)12-15)25-19-9-7-17(24-11-5-4-10-21)13-16(19)14-23(2)3/h6-9,12-13H,4-5,10-11,14,22H2,1-3H3 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human cloned SERT expressed in HEK293 cells |
Bioorg Med Chem 18: 236-41 (2010)
Article DOI: 10.1016/j.bmc.2009.10.062
BindingDB Entry DOI: 10.7270/Q2348KFT |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50020316
(CHEMBL3289177)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1ccc(s1)-c1cccs1)N2C |r| Show InChI InChI=1S/C17H20N2OS2/c1-19-12-4-5-13(19)10-11(9-12)18-17(20)16-7-6-15(22-16)14-3-2-8-21-14/h2-3,6-8,11-13H,4-5,9-10H2,1H3,(H,18,20)/t11-,12+,13- | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Displacement of [125I]-alpha-bungarotoxin from alpha7 nicotinic acetylcholine receptor in Wistar rat frontal cortex by gamma counting |
Eur J Med Chem 82: 214-24 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.057
BindingDB Entry DOI: 10.7270/Q29888K4 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50110782
(CHEMBL429065 | [5-Iodo-2-(2-methylaminomethyl-phen...)Show InChI InChI=1S/C15H16INOS/c1-17-9-11-4-2-3-5-14(11)19-15-7-6-13(16)8-12(15)10-18/h2-8,17-18H,9-10H2,1H3 | PDB
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| 12.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-nisoxatine binding to norepinephrine transporter (NET) of rat cortical homogenates |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50308665
(4-Fluoro-N,N-dimethyl-2-(2-amino-4-methylphenylthi...)Show InChI InChI=1S/C16H19FN2S/c1-11-4-7-15(14(18)8-11)20-16-9-13(17)6-5-12(16)10-19(2)3/h4-9H,10,18H2,1-3H3 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human cloned SERT expressed in HEK293 cells |
Bioorg Med Chem 18: 236-41 (2010)
Article DOI: 10.1016/j.bmc.2009.10.062
BindingDB Entry DOI: 10.7270/Q2348KFT |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50329776
((rac)-5-Fluoro-3-(4-phenyl-piperidin-1-yl)-1,2,3,4...)Show InChI InChI=1S/C21H24FNO/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2 | PDB
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| 13.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat cortical membranes after 120 mins |
Bioorg Med Chem 18: 7659-67 (2010)
Article DOI: 10.1016/j.bmc.2010.08.028
BindingDB Entry DOI: 10.7270/Q2PK0GCD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50265291
(CHEMBL525371 | N,N-Dimethyl-2-[2-(N-4-fluorobenzam...)Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1NC(=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H23FN2OS/c1-16-8-13-22(28-21-7-5-4-6-18(21)15-26(2)3)20(14-16)25-23(27)17-9-11-19(24)12-10-17/h4-14H,15H2,1-3H3,(H,25,27) | PDB
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Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]MADAM from SERT in rat brain cortex membrane |
Bioorg Med Chem 16: 9050-5 (2008)
Article DOI: 10.1016/j.bmc.2008.08.002
BindingDB Entry DOI: 10.7270/Q21G0M3J |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50020317
(CHEMBL3289178)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1ccc(s1)-c1ccco1)N2C |r| Show InChI InChI=1S/C17H20N2O2S/c1-19-12-4-5-13(19)10-11(9-12)18-17(20)16-7-6-15(22-16)14-3-2-8-21-14/h2-3,6-8,11-13H,4-5,9-10H2,1H3,(H,18,20)/t11-,12+,13- | PDB
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UniChem
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| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans
Curated by ChEMBL
| Assay Description
Displacement of [125I]-alpha-bungarotoxin from alpha7 nicotinic acetylcholine receptor in Wistar rat frontal cortex by gamma counting |
Eur J Med Chem 82: 214-24 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.057
BindingDB Entry DOI: 10.7270/Q29888K4 |
More data for this
Ligand-Target Pair | |
Vesicular acetylcholine transporter
(Rattus norvegicus) | BDBM50329775
((2R,3R)-5-Iodo-3-(4-phenyl-piperidin-1-yl)-1,2,3,4...)Show SMILES O[C@@H]1Cc2cccc(I)c2C[C@H]1N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C21H24INO/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2/t20-,21-/m1/s1 | PDB
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UniChem
Similars
| Article
PubMed
| 15.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cells after 60 mins |
Bioorg Med Chem 18: 7659-67 (2010)
Article DOI: 10.1016/j.bmc.2010.08.028
BindingDB Entry DOI: 10.7270/Q2PK0GCD |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50464766
(CHEMBL4292287)Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(C)=O)C(=O)NNC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C71H101N25O16S/c1-37(59(102)87-47(58(72)101)17-9-24-78-69(73)74)84-60(103)49(21-22-57(99)100)88-62(105)52(30-41-33-82-46-16-8-6-14-44(41)46)91-66(109)54-19-11-26-95(54)67(110)38(2)85-71(112)94-93-64(107)50(23-28-113-4)89-65(108)55-20-12-27-96(55)68(111)53(31-42-34-77-36-83-42)92-63(106)51(29-40-32-81-45-15-7-5-13-43(40)45)90-61(104)48(18-10-25-79-70(75)76)86-56(98)35-80-39(3)97/h5-8,13-16,32-34,36-38,47-55,81-82H,9-12,17-31,35H2,1-4H3,(H2,72,101)(H,77,83)(H,80,97)(H,84,103)(H,86,98)(H,87,102)(H,88,105)(H,89,108)(H,90,104)(H,91,109)(H,92,106)(H,93,107)(H,99,100)(H4,73,74,78)(H4,75,76,79)(H2,85,94,112)/t37-,38+,47-,48+,49+,50+,51+,52+,53+,54+,55+/m1/s1 | PDB
MMDB
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UniChem
| Article
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UPR 4301
Curated by ChEMBL
| Assay Description
Reversible competitive inhibition of human cathepsin S using fluorogenic AMC-derived peptide substrate assessed as reduction in residual activity at ... |
Eur J Med Chem 144: 201-210 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.012
BindingDB Entry DOI: 10.7270/Q2MP55ZM |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50296782
((1R,2S,3S,5S)-methyl 8-((E)-3-iodoallyl)-3-p-tolyl...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C=C\I |r,THB:19:18:4.10.9:6.7| Show InChI InChI=1S/C19H24INO2/c1-13-4-6-14(7-5-13)16-12-15-8-9-17(18(16)19(22)23-2)21(15)11-3-10-20/h3-7,10,15-18H,8-9,11-12H2,1-2H3/b10-3+/t15-,16+,17+,18-/m0/s1 | NCI pathway
Reactome pathway
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UniChem
Similars
| Article
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN35428 from human cloned DAT receptor expressed in human HEK293 cells |
Bioorg Med Chem 20: 1388-95 (2012)
Article DOI: 10.1016/j.bmc.2012.01.014
BindingDB Entry DOI: 10.7270/Q26T0N3Z |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110787
(2-(2-{[(2-Fluoro-ethyl)-methyl-amino]-methyl}-phen...)Show InChI InChI=1S/C16H18FIN2S/c1-20(9-8-17)11-12-4-2-3-5-15(12)21-16-7-6-13(18)10-14(16)19/h2-7,10H,8-9,11,19H2,1H3 | PDB
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UniChem
Similars
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| 19.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this
Ligand-Target Pair | |
Vesicular acetylcholine transporter
(Rattus norvegicus) | BDBM50329773
((-)-(2R,3R)-5-(2-fluoroethoxy)-3-(4-phenylpiperidi...)Show SMILES O[C@@H]1Cc2cccc(OCCF)c2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C23H28FNO2/c24-11-14-27-23-8-4-7-19-15-22(26)21(16-20(19)23)25-12-9-18(10-13-25)17-5-2-1-3-6-17/h1-8,18,21-22,26H,9-16H2/t21-,22-/m1/s1 | PDB
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| 19.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cells after 60 mins |
Bioorg Med Chem 18: 7659-67 (2010)
Article DOI: 10.1016/j.bmc.2010.08.028
BindingDB Entry DOI: 10.7270/Q2PK0GCD |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50464766
(CHEMBL4292287)Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(C)=O)C(=O)NNC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C71H101N25O16S/c1-37(59(102)87-47(58(72)101)17-9-24-78-69(73)74)84-60(103)49(21-22-57(99)100)88-62(105)52(30-41-33-82-46-16-8-6-14-44(41)46)91-66(109)54-19-11-26-95(54)67(110)38(2)85-71(112)94-93-64(107)50(23-28-113-4)89-65(108)55-20-12-27-96(55)68(111)53(31-42-34-77-36-83-42)92-63(106)51(29-40-32-81-45-15-7-5-13-43(40)45)90-61(104)48(18-10-25-79-70(75)76)86-56(98)35-80-39(3)97/h5-8,13-16,32-34,36-38,47-55,81-82H,9-12,17-31,35H2,1-4H3,(H2,72,101)(H,77,83)(H,80,97)(H,84,103)(H,86,98)(H,87,102)(H,88,105)(H,89,108)(H,90,104)(H,91,109)(H,92,106)(H,93,107)(H,99,100)(H4,73,74,78)(H4,75,76,79)(H2,85,94,112)/t37-,38+,47-,48+,49+,50+,51+,52+,53+,54+,55+/m1/s1 | PDB
MMDB
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UniChem
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UPR 4301
Curated by ChEMBL
| Assay Description
Reversible competitive inhibition of human cathepsin S using fluorogenic AMC-derived peptide substrate assessed as reduction in residual activity at ... |
Eur J Med Chem 144: 201-210 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.012
BindingDB Entry DOI: 10.7270/Q2MP55ZM |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50110783
(CHEMBL22743 | [2-(2-Dimethylaminomethyl-phenylsulf...)Show InChI InChI=1S/C16H18FNOS/c1-18(2)10-12-5-3-4-6-15(12)20-16-8-7-14(17)9-13(16)11-19/h3-9,19H,10-11H2,1-2H3 | PDB
Reactome pathway
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UniChem
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| 28.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-nisoxatine binding to norepinephrine transporter (NET) of rat cortical homogenates |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50264816
(CHEMBL491027 | N-(2-(2-((dimethylamino)methyl)phen...)Show InChI InChI=1S/C22H21FN2OS/c1-25(2)15-17-7-3-5-9-20(17)27-21-10-6-4-8-19(21)24-22(26)16-11-13-18(23)14-12-16/h3-14H,15H2,1-2H3,(H,24,26) | PDB
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| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [125I]IDAM from SERT in rat brain cortex membrane |
Bioorg Med Chem 16: 9050-5 (2008)
Article DOI: 10.1016/j.bmc.2008.08.002
BindingDB Entry DOI: 10.7270/Q21G0M3J |
More data for this
Ligand-Target Pair | |
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