Found 364 hits with Last Name = 'deshpande' and Initial = 'a' 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 |
|---|
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451174
(CHEMBL4202457)Show SMILES C[C@H](O)[C@@H](CCc1cccc(Br)c1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H18BrN5O/c1-10(23)13(6-5-11-3-2-4-12(17)7-11)22-9-21-14-15(18)19-8-20-16(14)22/h2-4,7-10,13,23H,5-6H2,1H3,(H2,18,19,20)/t10-,13+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015
BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this
Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451177
(CHEMBL4210264)Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)C(F)(F)F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C17H18F3N5O/c1-10(26)13(25-9-24-14-15(21)22-8-23-16(14)25)6-5-11-3-2-4-12(7-11)17(18,19)20/h2-4,7-10,13,26H,5-6H2,1H3,(H2,21,22,23)/t10-,13+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015
BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50402702
(CHEMBL2207386)Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2Br)CC1 Show InChI InChI=1S/C20H22BrN3O2S/c1-22-11-13-23(14-12-22)15-16-5-4-7-19-17(16)9-10-24(19)27(25,26)20-8-3-2-6-18(20)21/h2-10H,11-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 7431-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD |
More data for this
Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451169
(CHEMBL4207346)Show SMILES C[C@H](O)[C@@H](CCc1cccc(F)c1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H18FN5O/c1-10(23)13(6-5-11-3-2-4-12(17)7-11)22-9-21-14-15(18)19-8-20-16(14)22/h2-4,7-10,13,23H,5-6H2,1H3,(H2,18,19,20)/t10-,13+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015
BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this
Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451139
(CHEMBL4204605)Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)C(=O)NC1CCCC1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C22H28N6O2/c1-14(29)18(28-13-26-19-20(23)24-12-25-21(19)28)10-9-15-5-4-6-16(11-15)22(30)27-17-7-2-3-8-17/h4-6,11-14,17-18,29H,2-3,7-10H2,1H3,(H,27,30)(H2,23,24,25)/t14-,18+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015
BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this
Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451140
(CHEMBL4216271)Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)C(=O)N(C)C)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C19H24N6O2/c1-12(26)15(25-11-23-16-17(20)21-10-22-18(16)25)8-7-13-5-4-6-14(9-13)19(27)24(2)3/h4-6,9-12,15,26H,7-8H2,1-3H3,(H2,20,21,22)/t12-,15+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015
BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this
Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451164
(CHEMBL4208941)Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)-c1cnccn1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H21N7O/c1-13(28)17(27-12-26-18-19(21)24-11-25-20(18)27)6-5-14-3-2-4-15(9-14)16-10-22-7-8-23-16/h2-4,7-13,17,28H,5-6H2,1H3,(H2,21,24,25)/t13-,17+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015
BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this
Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451167
(CHEMBL4206823)Show SMILES C[C@H](O)[C@@H](CCC1CCCCC1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H25N5O/c1-11(22)13(8-7-12-5-3-2-4-6-12)21-10-20-14-15(17)18-9-19-16(14)21/h9-13,22H,2-8H2,1H3,(H2,17,18,19)/t11-,13+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015
BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this
Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451168
(CHEMBL4211702)Show SMILES CCc1ccc(CC[C@H]([C@H](C)O)n2cnc3c(N)ncnc23)s1 |r| Show InChI InChI=1S/C16H21N5OS/c1-3-11-4-5-12(23-11)6-7-13(10(2)22)21-9-20-14-15(17)18-8-19-16(14)21/h4-5,8-10,13,22H,3,6-7H2,1-2H3,(H2,17,18,19)/t10-,13+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015
BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this
Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451138
(CHEMBL4203116)Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)C(=O)N1CCCC1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H26N6O2/c1-14(28)17(27-13-25-18-19(22)23-12-24-20(18)27)8-7-15-5-4-6-16(11-15)21(29)26-9-2-3-10-26/h4-6,11-14,17,28H,2-3,7-10H2,1H3,(H2,22,23,24)/t14-,17+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015
BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this
Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451173
(CHEMBL4214254)Show SMILES COC(=O)c1cccc(CC[C@H]([C@H](C)O)n2cnc3c(N)ncnc23)c1 |r| Show InChI InChI=1S/C18H21N5O3/c1-11(24)14(23-10-22-15-16(19)20-9-21-17(15)23)7-6-12-4-3-5-13(8-12)18(25)26-2/h3-5,8-11,14,24H,6-7H2,1-2H3,(H2,19,20,21)/t11-,14+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015
BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this
Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM28393
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015
BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451165
(CHEMBL4204068)Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)-c1ccccn1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H22N6O/c1-14(28)18(27-13-26-19-20(22)24-12-25-21(19)27)9-8-15-5-4-6-16(11-15)17-7-2-3-10-23-17/h2-7,10-14,18,28H,8-9H2,1H3,(H2,22,24,25)/t14-,18+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015
BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345760
(1-(Benzenesulfonyl)-5-(piperazin-1-yl-methyl)-1H-i...)Show InChI InChI=1S/C19H21N3O2S/c23-25(24,18-4-2-1-3-5-18)22-11-8-17-14-16(6-7-19(17)22)15-21-12-9-20-10-13-21/h1-8,11,14,20H,9-10,12-13,15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells |
ACS Med Chem Lett 1: 340-344 (2010)
Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345777
(1-(2-Bromo benzenesulfonyl)-5-(4-ethylpiperazin-1-...)Show SMILES CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccccc2Br)CC1 Show InChI InChI=1S/C21H24BrN3O2S/c1-2-23-11-13-24(14-12-23)16-17-7-8-20-18(15-17)9-10-25(20)28(26,27)21-6-4-3-5-19(21)22/h3-10,15H,2,11-14,16H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells |
ACS Med Chem Lett 1: 340-344 (2010)
Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345758
(3-chloro-1-(4-fluoro benzenesulfonyl)-5-(piperazin...)Show SMILES Fc1ccc(cc1)S(=O)(=O)n1cc(Cl)c2cc(CN3CCNCC3)ccc12 Show InChI InChI=1S/C19H19ClFN3O2S/c20-18-13-24(27(25,26)16-4-2-15(21)3-5-16)19-6-1-14(11-17(18)19)12-23-9-7-22-8-10-23/h1-6,11,13,22H,7-10,12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells |
ACS Med Chem Lett 1: 340-344 (2010)
Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD |
More data for this
Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451166
(CHEMBL4209345)Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)-c1nccs1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C19H20N6OS/c1-12(26)15(25-11-24-16-17(20)22-10-23-18(16)25)6-5-13-3-2-4-14(9-13)19-21-7-8-27-19/h2-4,7-12,15,26H,5-6H2,1H3,(H2,20,22,23)/t12-,15+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015
BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this
Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451141
(CHEMBL4216791)Show SMILES CNC(=O)c1cccc(CC[C@H]([C@H](C)O)n2cnc3c(N)ncnc23)c1 |r| Show InChI InChI=1S/C18H22N6O2/c1-11(25)14(24-10-23-15-16(19)21-9-22-17(15)24)7-6-12-4-3-5-13(8-12)18(26)20-2/h3-5,8-11,14,25H,6-7H2,1-2H3,(H,20,26)(H2,19,21,22)/t11-,14+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015
BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50402705
(CHEMBL2207368)Show SMILES Brc1ccccc1S(=O)(=O)n1ccc2c(CN3CCNCC3)cccc12 Show InChI InChI=1S/C19H20BrN3O2S/c20-17-5-1-2-7-19(17)26(24,25)23-11-8-16-15(4-3-6-18(16)23)14-22-12-9-21-10-13-22/h1-8,11,21H,9-10,12-14H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 7431-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD |
More data for this
Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451142
(CHEMBL4211824)Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)C(N)=O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C17H20N6O2/c1-10(24)13(6-5-11-3-2-4-12(7-11)16(19)25)23-9-22-14-15(18)20-8-21-17(14)23/h2-4,7-10,13,24H,5-6H2,1H3,(H2,19,25)(H2,18,20,21)/t10-,13+/m0/s1 | PDB
MMDB
KEGG
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UniChem
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015
BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345754
(3-chloro-1-(4-fluoro benzenesulfonyl)-5-(4-methylp...)Show SMILES CN1CCN(Cc2ccc3n(cc(Cl)c3c2)S(=O)(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C20H21ClFN3O2S/c1-23-8-10-24(11-9-23)13-15-2-7-20-18(12-15)19(21)14-25(20)28(26,27)17-5-3-16(22)4-6-17/h2-7,12,14H,8-11,13H2,1H3 | PDB
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PubMed
| 2.97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells |
ACS Med Chem Lett 1: 340-344 (2010)
Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345763
(1-(4-Chloro benzenesulfonyl)-5-(4-methylpiperazin-...)Show SMILES CN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C20H22ClN3O2S/c1-22-10-12-23(13-11-22)15-16-2-7-20-17(14-16)8-9-24(20)27(25,26)19-5-3-18(21)4-6-19/h2-9,14H,10-13,15H2,1H3 | PDB
Reactome pathway
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PubMed
| 3.02 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells |
ACS Med Chem Lett 1: 340-344 (2010)
Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345762
(1-(3-trifluoromethyl benzenesulfonyl)-5-(4-methylp...)Show SMILES CN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2cccc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C21H22F3N3O2S/c1-25-9-11-26(12-10-25)15-16-5-6-20-17(13-16)7-8-27(20)30(28,29)19-4-2-3-18(14-19)21(22,23)24/h2-8,13-14H,9-12,15H2,1H3 | PDB
Reactome pathway
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PubMed
| 3.15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells |
ACS Med Chem Lett 1: 340-344 (2010)
Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345772
(1-(4-Fluoro benzenesulfonyl)-5-(4-ethylpiperazin-1...)Show SMILES CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H24FN3O2S/c1-2-23-11-13-24(14-12-23)16-17-3-8-21-18(15-17)9-10-25(21)28(26,27)20-6-4-19(22)5-7-20/h3-10,15H,2,11-14,16H2,1H3 | PDB
Reactome pathway
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PubMed
| 3.21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells |
ACS Med Chem Lett 1: 340-344 (2010)
Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50402701
(CHEMBL2207388)Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1 Show InChI InChI=1S/C20H23N3O2S/c1-21-12-14-22(15-13-21)16-17-6-5-9-20-19(17)10-11-23(20)26(24,25)18-7-3-2-4-8-18/h2-11H,12-16H2,1H3 | PDB
Reactome pathway
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| 3.24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 7431-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345753
(3-Chloro-1-(2,4-difluorobenzenesulfonyl)-5-(4-meth...)Show SMILES CN1CCN(Cc2ccc3n(cc(Cl)c3c2)S(=O)(=O)c2ccc(F)cc2F)CC1 Show InChI InChI=1S/C20H20ClF2N3O2S/c1-24-6-8-25(9-7-24)12-14-2-4-19-16(10-14)17(21)13-26(19)29(27,28)20-5-3-15(22)11-18(20)23/h2-5,10-11,13H,6-9,12H2,1H3 | PDB
Reactome pathway
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PubMed
| 3.36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells |
ACS Med Chem Lett 1: 340-344 (2010)
Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50334248
(1-(4-Isopropylbenzenesulfonyl)-3-(4-methylpiperazi...)Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1cc(N2CCN(C)CC2)c2ccccc12 Show InChI InChI=1S/C22H27N3O2S/c1-17(2)18-8-10-19(11-9-18)28(26,27)25-16-22(20-6-4-5-7-21(20)25)24-14-12-23(3)13-15-24/h4-11,16-17H,12-15H2,1-3H3 | PDB
Reactome pathway
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UniChem
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PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay |
Bioorg Med Chem Lett 21: 346-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345769
(1-Benzenesulfonyl-5-(4-methylpiperazin-1-yl-methyl...)Show SMILES CN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccccc2)CC1 Show InChI InChI=1S/C20H23N3O2S/c1-21-11-13-22(14-12-21)16-17-7-8-20-18(15-17)9-10-23(20)26(24,25)19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3 | PDB
Reactome pathway
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UniChem
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PubMed
| 3.83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells |
ACS Med Chem Lett 1: 340-344 (2010)
Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345756
(1-(2-Chloro-5-trifluoromethyl benzenesulfonyl)-3-c...)Show SMILES CN1CCN(Cc2ccc3n(cc(Cl)c3c2)S(=O)(=O)c2cc(ccc2Cl)C(F)(F)F)CC1 Show InChI InChI=1S/C21H20Cl2F3N3O2S/c1-27-6-8-28(9-7-27)12-14-2-5-19-16(10-14)18(23)13-29(19)32(30,31)20-11-15(21(24,25)26)3-4-17(20)22/h2-5,10-11,13H,6-9,12H2,1H3 | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 4.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells |
ACS Med Chem Lett 1: 340-344 (2010)
Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD |
More data for this
Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451158
(CHEMBL4218202)Show SMILES C[C@H](O)[C@@H](CCc1cccc(CO)c1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C17H21N5O2/c1-11(24)14(6-5-12-3-2-4-13(7-12)8-23)22-10-21-15-16(18)19-9-20-17(15)22/h2-4,7,9-11,14,23-24H,5-6,8H2,1H3,(H2,18,19,20)/t11-,14+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015
BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50402724
(CHEMBL2207387)Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2cccc3ccccc23)CC1 Show InChI InChI=1S/C24H25N3O2S/c1-25-14-16-26(17-15-25)18-20-8-4-10-23-21(20)12-13-27(23)30(28,29)24-11-5-7-19-6-2-3-9-22(19)24/h2-13H,14-18H2,1H3 | PDB
Reactome pathway
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PubMed
| 4.82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 7431-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD |
More data for this
Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451171
(CHEMBL4214511)Show SMILES C[C@H](O)[C@@H](CCc1ccc(cc1)C(F)(F)F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C17H18F3N5O/c1-10(26)13(25-9-24-14-15(21)22-8-23-16(14)25)7-4-11-2-5-12(6-3-11)17(18,19)20/h2-3,5-6,8-10,13,26H,4,7H2,1H3,(H2,21,22,23)/t10-,13+/m0/s1 | PDB
MMDB
KEGG
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B.MOAD
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015
BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345776
(1-(2,3-Dichlorobenzenesulfonyl)-5-(4-ethylpiperazi...)Show SMILES CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2cccc(Cl)c2Cl)CC1 Show InChI InChI=1S/C21H23Cl2N3O2S/c1-2-24-10-12-25(13-11-24)15-16-6-7-19-17(14-16)8-9-26(19)29(27,28)20-5-3-4-18(22)21(20)23/h3-9,14H,2,10-13,15H2,1H3 | PDB
Reactome pathway
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PC sid
UniChem
Similars
| Article
PubMed
| 5.52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells |
ACS Med Chem Lett 1: 340-344 (2010)
Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345757
(3-Chloro-1-(2,4-difluoro benzenesulfonyl)-5-(piper...)Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)n1cc(Cl)c2cc(CN3CCNCC3)ccc12 Show InChI InChI=1S/C19H18ClF2N3O2S/c20-16-12-25(28(26,27)19-4-2-14(21)10-17(19)22)18-3-1-13(9-15(16)18)11-24-7-5-23-6-8-24/h1-4,9-10,12,23H,5-8,11H2 | PDB
Reactome pathway
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PC sid
UniChem
Similars
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PubMed
| 5.57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells |
ACS Med Chem Lett 1: 340-344 (2010)
Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345775
(1-(3-trifluoromethyl benzenesulfonyl)-5-(4-ethylpi...)Show SMILES CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2cccc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C22H24F3N3O2S/c1-2-26-10-12-27(13-11-26)16-17-6-7-21-18(14-17)8-9-28(21)31(29,30)20-5-3-4-19(15-20)22(23,24)25/h3-9,14-15H,2,10-13,16H2,1H3 | PDB
Reactome pathway
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PC sid
UniChem
Similars
| Article
PubMed
| 5.72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells |
ACS Med Chem Lett 1: 340-344 (2010)
Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345774
(1-(4-Isopropyl benzenesulfonyl)-5-(4-ethylpiperazi...)Show SMILES CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccc(cc2)C(C)C)CC1 Show InChI InChI=1S/C24H31N3O2S/c1-4-25-13-15-26(16-14-25)18-20-5-10-24-22(17-20)11-12-27(24)30(28,29)23-8-6-21(7-9-23)19(2)3/h5-12,17,19H,4,13-16,18H2,1-3H3 | PDB
Reactome pathway
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PC sid
UniChem
Similars
| Article
PubMed
| 5.81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells |
ACS Med Chem Lett 1: 340-344 (2010)
Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD |
More data for this
Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451178
(CHEMBL4203469)Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)C(F)(F)F)n1cnc(c1)C(N)=O |r| Show InChI InChI=1S/C16H18F3N3O2/c1-10(23)14(22-8-13(15(20)24)21-9-22)6-5-11-3-2-4-12(7-11)16(17,18)19/h2-4,7-10,14,23H,5-6H2,1H3,(H2,20,24)/t10-,14+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015
BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this
Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451170
(CHEMBL4214658)Show SMILES C[C@H](O)[C@@H](CCc1ccccc1C(F)(F)F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C17H18F3N5O/c1-10(26)13(25-9-24-14-15(21)22-8-23-16(14)25)7-6-11-4-2-3-5-12(11)17(18,19)20/h2-5,8-10,13,26H,6-7H2,1H3,(H2,21,22,23)/t10-,13+/m0/s1 | PDB
MMDB
KEGG
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B.MOAD
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015
BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345761
(1-(2-Bromo benzenesulfonyl)-5-(piperazin-1-yl-meth...)Show SMILES Brc1ccccc1S(=O)(=O)n1ccc2cc(CN3CCNCC3)ccc12 Show InChI InChI=1S/C19H20BrN3O2S/c20-17-3-1-2-4-19(17)26(24,25)23-10-7-16-13-15(5-6-18(16)23)14-22-11-8-21-9-12-22/h1-7,10,13,21H,8-9,11-12,14H2 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells |
ACS Med Chem Lett 1: 340-344 (2010)
Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50334254
(5-Bromo-1-(3-chlorobenzenesulfonyl)-3-(4-methylpip...)Show SMILES CN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H19BrClN3O2S/c1-22-7-9-23(10-8-22)19-13-24(18-6-5-14(20)11-17(18)19)27(25,26)16-4-2-3-15(21)12-16/h2-6,11-13H,7-10H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay |
Bioorg Med Chem Lett 21: 346-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50402704
(CHEMBL2207369)Show InChI InChI=1S/C19H21N3O2S/c23-25(24,17-6-2-1-3-7-17)22-12-9-18-16(5-4-8-19(18)22)15-21-13-10-20-11-14-21/h1-9,12,20H,10-11,13-15H2 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 7431-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50402723
(CHEMBL2207389)Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccc(C)cc2)CC1 Show InChI InChI=1S/C21H25N3O2S/c1-17-6-8-19(9-7-17)27(25,26)24-11-10-20-18(4-3-5-21(20)24)16-23-14-12-22(2)13-15-23/h3-11H,12-16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 7431-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345765
(1-(2-Bromo benzenesulfonyl)-5-(4-methylpiperazin-1...)Show SMILES CN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccccc2Br)CC1 Show InChI InChI=1S/C20H22BrN3O2S/c1-22-10-12-23(13-11-22)15-16-6-7-19-17(14-16)8-9-24(19)27(25,26)20-5-3-2-4-18(20)21/h2-9,14H,10-13,15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells |
ACS Med Chem Lett 1: 340-344 (2010)
Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50402722
(CHEMBL2207768)Show SMILES COc1ccc(c(Br)c1)S(=O)(=O)n1ccc2c(CN3CCN(C)CC3)cccc12 Show InChI InChI=1S/C21H24BrN3O3S/c1-23-10-12-24(13-11-23)15-16-4-3-5-20-18(16)8-9-25(20)29(26,27)21-7-6-17(28-2)14-19(21)22/h3-9,14H,10-13,15H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 7431-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50334253
(3-(4-ethylpiperazin-1-yl)-1-(4-isopropylphenylsulf...)Show SMILES CCN1CCN(CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(cc1)C(C)C Show InChI InChI=1S/C23H29N3O2S/c1-4-24-13-15-25(16-14-24)23-17-26(22-8-6-5-7-21(22)23)29(27,28)20-11-9-19(10-12-20)18(2)3/h5-12,17-18H,4,13-16H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay |
Bioorg Med Chem Lett 21: 346-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50334255
(5-Bromo-1-(4-fluorobenzenesulfonyl)-3-(4-methylpip...)Show SMILES CN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C19H19BrFN3O2S/c1-22-8-10-23(11-9-22)19-13-24(18-7-2-14(20)12-17(18)19)27(25,26)16-5-3-15(21)4-6-16/h2-7,12-13H,8-11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay |
Bioorg Med Chem Lett 21: 346-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50345755
(1-(4-Chlorobenzenesulfonyl)-3-chloro-5-(4-methyl p...)Show SMILES CN1CCN(Cc2ccc3n(cc(Cl)c3c2)S(=O)(=O)c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C20H21Cl2N3O2S/c1-23-8-10-24(11-9-23)13-15-2-7-20-18(12-15)19(22)14-25(20)28(26,27)17-5-3-16(21)4-6-17/h2-7,12,14H,8-11,13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells |
ACS Med Chem Lett 1: 340-344 (2010)
Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50402721
(CHEMBL2207371)Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C20H22FN3O2S/c1-22-11-13-23(14-12-22)15-16-3-2-4-20-19(16)9-10-24(20)27(25,26)18-7-5-17(21)6-8-18/h2-10H,11-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 7431-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50334259
(5-Bromo-1-(2-bromobenzenesulfonyl)-3-(4-methylpipe...)Show SMILES CN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1ccccc1Br Show InChI InChI=1S/C19H19Br2N3O2S/c1-22-8-10-23(11-9-22)18-13-24(17-7-6-14(20)12-15(17)18)27(25,26)19-5-3-2-4-16(19)21/h2-7,12-13H,8-11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay |
Bioorg Med Chem Lett 21: 346-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50334256
(5-Bromo-1-(4-fluorobenzenesulfonyl)-3-(4-ethylpipe...)Show SMILES CCN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C20H21BrFN3O2S/c1-2-23-9-11-24(12-10-23)20-14-25(19-8-3-15(21)13-18(19)20)28(26,27)17-6-4-16(22)5-7-17/h3-8,13-14H,2,9-12H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay |
Bioorg Med Chem Lett 21: 346-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W |
More data for this
Ligand-Target Pair | |
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