Found 255 hits with Last Name = 'mckenna' and Initial = 'ba' 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 |
|---|
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50361051
(CHEMBL1935590)Show InChI InChI=1S/C17H14FNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,19H,6-7,10H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065404
((R)-N-((S)-5-Benzenesulfonylamino-1-formyl-pentyl)...)Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1)C=O Show InChI InChI=1S/C23H31N3O7S2/c1-34(29,30)26-22(18-33-17-19-10-4-2-5-11-19)23(28)25-20(16-27)12-8-9-15-24-35(31,32)21-13-6-3-7-14-21/h2-7,10-11,13-14,16,20,22,24,26H,8-9,12,15,17-18H2,1H3,(H,25,28)/t20-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50361055
(CHEMBL1935599)Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCOCC4)c3oc2c1 Show InChI InChI=1S/C21H20FNO4S/c22-14-2-1-3-15(12-14)28(24,25)16-4-5-17-18-6-9-23-21(7-10-26-11-8-21)20(18)27-19(17)13-16/h1-5,12-13,23H,6-11H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50012572
(CHEMBL3260795)Show SMILES O=C1CC(CN1c1cnc2c(cccc2c1)N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C23H24N4O/c28-22-14-19(17-5-2-1-3-6-17)16-27(22)20-13-18-7-4-8-21(23(18)25-15-20)26-11-9-24-10-12-26/h1-8,13,15,19,24H,9-12,14,16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in CHO-K1 cell membrane after 3 hrs by liquid scintillation counting analysis |
Bioorg Med Chem Lett 24: 2094-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.049
BindingDB Entry DOI: 10.7270/Q2W95BQ7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50361052
(CHEMBL1935589 | CHEMBL1949758)Show InChI InChI=1S/C17H15NO3S/c19-22(20,12-4-2-1-3-5-12)13-6-7-14-15-8-9-18-11-17(15)21-16(14)10-13/h1-7,10,18H,8-9,11H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50361052
(CHEMBL1935589 | CHEMBL1949758)Show InChI InChI=1S/C17H15NO3S/c19-22(20,12-4-2-1-3-5-12)13-6-7-14-15-8-9-18-11-17(15)21-16(14)10-13/h1-7,10,18H,8-9,11H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50361058
(CHEMBL1935594)Show SMILES CC1(C)NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C19H18FNO3S/c1-19(2)18-16(8-9-21-19)15-7-6-14(11-17(15)24-18)25(22,23)13-5-3-4-12(20)10-13/h3-7,10-11,21H,8-9H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50065404
((R)-N-((S)-5-Benzenesulfonylamino-1-formyl-pentyl)...)Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1)C=O Show InChI InChI=1S/C23H31N3O7S2/c1-34(29,30)26-22(18-33-17-19-10-4-2-5-11-19)23(28)25-20(16-27)12-8-9-15-24-35(31,32)21-13-6-3-7-14-21/h2-7,10-11,13-14,16,20,22,24,26H,8-9,12,15,17-18H2,1H3,(H,25,28)/t20-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against cathepsin B receptor in human liver |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364326
(CHEMBL1949930)Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364326
(CHEMBL1949930)Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065398
((R)-3-Benzyloxy-N-[(S)-1-(4-benzyloxy-benzyl)-2-ox...)Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C=O Show InChI InChI=1S/C27H30N2O6S/c1-36(32,33)29-26(20-34-18-22-8-4-2-5-9-22)27(31)28-24(17-30)16-21-12-14-25(15-13-21)35-19-23-10-6-3-7-11-23/h2-15,17,24,26,29H,16,18-20H2,1H3,(H,28,31)/t24-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50361053
(CHEMBL1935601)Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1 Show InChI InChI=1S/C21H20FNO4S/c22-14-3-1-4-15(11-14)28(24,25)16-5-6-17-18-7-9-23-21(8-2-10-26-13-21)20(18)27-19(17)12-16/h1,3-6,11-12,23H,2,7-10,13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364323
(CHEMBL1949928)Show SMILES Clc1cccc(c1Cl)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C17H15Cl2NO3S/c18-13-2-1-3-16(17(13)19)24(21,22)10-4-5-11-12-6-7-20-9-15(12)23-14(11)8-10/h1-5,8,12,15,20H,6-7,9H2/t12-,15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364323
(CHEMBL1949928)Show SMILES Clc1cccc(c1Cl)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C17H15Cl2NO3S/c18-13-2-1-3-16(17(13)19)24(21,22)10-4-5-11-12-6-7-20-9-15(12)23-14(11)8-10/h1-5,8,12,15,20H,6-7,9H2/t12-,15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50065407
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-met...)Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O5S/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Calpain-II receptor in porcine kidney |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50065398
((R)-3-Benzyloxy-N-[(S)-1-(4-benzyloxy-benzyl)-2-ox...)Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C=O Show InChI InChI=1S/C27H30N2O6S/c1-36(32,33)29-26(20-34-18-22-8-4-2-5-9-22)27(31)28-24(17-30)16-21-12-14-25(15-13-21)35-19-23-10-6-3-7-11-23/h2-15,17,24,26,29H,16,18-20H2,1H3,(H,28,31)/t24-,26+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Calpain-II receptor in porcine kidney |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50361050
(CHEMBL1935592)Show InChI InChI=1S/C18H17NO4S/c1-22-12-3-2-4-13(9-12)24(20,21)14-5-6-15-16-7-8-19-11-18(16)23-17(15)10-14/h2-6,9-10,19H,7-8,11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065401
((S)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzylsulfanyl-...)Show SMILES CS(=O)(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O4S2/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(RAT) | BDBM50361051
(CHEMBL1935590)Show InChI InChI=1S/C17H14FNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,19H,6-7,10H2 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from full length rat 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50065399
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-met...)Show SMILES CC(OCc1ccccc1)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C21H26N2O5S/c1-16(28-15-18-11-7-4-8-12-18)20(23-29(2,26)27)21(25)22-19(14-24)13-17-9-5-3-6-10-17/h3-12,14,16,19-20,23H,13,15H2,1-2H3,(H,22,25)/t16?,19-,20+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Calpain-II receptor in porcine kidney |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50065401
((S)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzylsulfanyl-...)Show SMILES CS(=O)(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O4S2/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Calpain-II receptor in porcine kidney |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50361049
(CHEMBL1935593)Show InChI InChI=1S/C19H19NO3S/c1-19(2)18-16(10-11-20-19)15-9-8-14(12-17(15)23-18)24(21,22)13-6-4-3-5-7-13/h3-9,12,20H,10-11H2,1-2H3 | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065407
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-met...)Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O5S/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50014577
(CHEMBL286722 | MDL-2170 | Z-Val-Phe-H | [(S)-1-((S...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r| Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065396
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-eth...)Show SMILES CCS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C21H26N2O5S/c1-2-29(26,27)23-20(16-28-15-18-11-7-4-8-12-18)21(25)22-19(14-24)13-17-9-5-3-6-10-17/h3-12,14,19-20,23H,2,13,15-16H2,1H3,(H,22,25)/t19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065411
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-2-methanesulfonyl...)Show SMILES CS(=O)(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)C=O)c1ccccc1 Show InChI InChI=1S/C18H20N2O4S/c1-25(23,24)20-17(15-10-6-3-7-11-15)18(22)19-16(13-21)12-14-8-4-2-5-9-14/h2-11,13,16-17,20H,12H2,1H3,(H,19,22)/t16-,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065412
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-(th...)Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)[C@@H](COCc1ccccc1)NS(=O)(=O)c1cccs1 Show InChI InChI=1S/C23H24N2O5S2/c26-15-20(14-18-8-3-1-4-9-18)24-23(27)21(17-30-16-19-10-5-2-6-11-19)25-32(28,29)22-12-7-13-31-22/h1-13,15,20-21,25H,14,16-17H2,(H,24,27)/t20-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50065396
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-eth...)Show SMILES CCS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C21H26N2O5S/c1-2-29(26,27)23-20(16-28-15-18-11-7-4-8-12-18)21(25)22-19(14-24)13-17-9-5-3-6-10-17/h3-12,14,19-20,23H,2,13,15-16H2,1H3,(H,22,25)/t19-,20+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Calpain-II receptor in porcine kidney |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065399
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-met...)Show SMILES CC(OCc1ccccc1)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C21H26N2O5S/c1-16(28-15-18-11-7-4-8-12-18)20(23-29(2,26)27)21(25)22-19(14-24)13-17-9-5-3-6-10-17/h3-12,14,16,19-20,23H,13,15H2,1-2H3,(H,22,25)/t16?,19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(RAT) | BDBM50361052
(CHEMBL1935589 | CHEMBL1949758)Show InChI InChI=1S/C17H15NO3S/c19-22(20,12-4-2-1-3-5-12)13-6-7-14-15-8-9-18-11-17(15)21-16(14)10-13/h1-7,10,18H,8-9,11H2 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from full length rat 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065405
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-(1H-indol-3-yl)...)Show SMILES CS(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C21H23N3O4S/c1-29(27,28)24-20(12-16-13-22-19-10-6-5-9-18(16)19)21(26)23-17(14-25)11-15-7-3-2-4-8-15/h2-10,13-14,17,20,22,24H,11-12H2,1H3,(H,23,26)/t17-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50012575
(CHEMBL3260798)Show SMILES O=C1CC(CN1c1cnc2c(cccc2c1)N1CCCNCC1)c1ccccc1 Show InChI InChI=1S/C24H26N4O/c29-23-15-20(18-6-2-1-3-7-18)17-28(23)21-14-19-8-4-9-22(24(19)26-16-21)27-12-5-10-25-11-13-27/h1-4,6-9,14,16,20,25H,5,10-13,15,17H2 | PDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in CHO-K1 cell membrane after 3 hrs by liquid scintillation counting analysis |
Bioorg Med Chem Lett 24: 2094-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.049
BindingDB Entry DOI: 10.7270/Q2W95BQ7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50012580
(CHEMBL3260803)Show InChI InChI=1S/C19H19ClN2O2/c20-16-3-1-2-15(10-16)18-12-22(19(23)24-18)17-5-4-13-6-8-21-9-7-14(13)11-17/h1-5,10-11,18,21H,6-9,12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in CHO-K1 cell membrane after 3 hrs by liquid scintillation counting analysis |
Bioorg Med Chem Lett 24: 2094-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.049
BindingDB Entry DOI: 10.7270/Q2W95BQ7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364312
(CHEMBL1949764)Show SMILES Clc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C17H16ClNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,15,17,19H,6-7,10H2/t15-,17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364311
(CHEMBL1949763)Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C17H16FNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,15,17,19H,6-7,10H2/t15-,17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065403
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-2-methanesulfonyl...)Show SMILES CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C19H22N2O4S/c1-26(24,25)21-18(13-16-10-6-3-7-11-16)19(23)20-17(14-22)12-15-8-4-2-5-9-15/h2-11,14,17-18,21H,12-13H2,1H3,(H,20,23)/t17-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065400
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-2-methanesulfonyl...)Show SMILES CS(=O)(=O)N[C@H](Cc1cccs1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C17H20N2O4S2/c1-25(22,23)19-16(11-15-8-5-9-24-15)17(21)18-14(12-20)10-13-6-3-2-4-7-13/h2-9,12,14,16,19H,10-11H2,1H3,(H,18,21)/t14-,16+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50065400
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-2-methanesulfonyl...)Show SMILES CS(=O)(=O)N[C@H](Cc1cccs1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C17H20N2O4S2/c1-25(22,23)19-16(11-15-8-5-9-24-15)17(21)18-14(12-20)10-13-6-3-2-4-7-13/h2-9,12,14,16,19H,10-11H2,1H3,(H,18,21)/t14-,16+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Calpain-II receptor in porcine kidney |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50065408
((S)-N-((S)-1-Benzyl-2-oxo-ethyl)-2-methanesulfonyl...)Show SMILES CS(=O)(=O)N[C@H](CS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O6S2/c1-29(25,26)22-19(15-30(27,28)14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human Calpain-I receptor |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50065403
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-2-methanesulfonyl...)Show SMILES CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C19H22N2O4S/c1-26(24,25)21-18(13-16-10-6-3-7-11-16)19(23)20-17(14-22)12-15-8-4-2-5-9-15/h2-11,14,17-18,21H,12-13H2,1H3,(H,20,23)/t17-,18+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Calpain-II receptor in porcine kidney |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(RAT) | BDBM50361055
(CHEMBL1935599)Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCOCC4)c3oc2c1 Show InChI InChI=1S/C21H20FNO4S/c22-14-2-1-3-15(12-14)28(24,25)16-4-5-17-18-6-9-23-21(7-10-26-11-8-21)20(18)27-19(17)13-16/h1-5,12-13,23H,6-11H2 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from full length rat 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50012577
(CHEMBL3260800)Show InChI InChI=1S/C19H19FN2O2/c20-17-4-2-1-3-16(17)18-12-22(19(23)24-18)15-6-5-13-7-9-21-10-8-14(13)11-15/h1-6,11,18,21H,7-10,12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in CHO-K1 cell membrane after 3 hrs by liquid scintillation counting analysis |
Bioorg Med Chem Lett 24: 2094-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.049
BindingDB Entry DOI: 10.7270/Q2W95BQ7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364310
(CHEMBL1949762)Show SMILES O=S(=O)(c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C23H21NO3S/c25-28(26,23-9-5-4-8-18(23)16-6-2-1-3-7-16)17-10-11-19-20-12-13-24-15-22(20)27-21(19)14-17/h1-11,14,20,22,24H,12-13,15H2/t20-,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50012576
(CHEMBL3260799)Show InChI InChI=1S/C19H20N2O2/c22-19-21(13-18(23-19)15-4-2-1-3-5-15)17-7-6-14-8-10-20-11-9-16(14)12-17/h1-7,12,18,20H,8-11,13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in CHO-K1 cell membrane after 3 hrs by liquid scintillation counting analysis |
Bioorg Med Chem Lett 24: 2094-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.049
BindingDB Entry DOI: 10.7270/Q2W95BQ7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50361057
(CHEMBL1935597)Show SMILES CC1(NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1)C(F)F Show InChI InChI=1S/C19H16F3NO3S/c1-19(18(21)22)17-15(7-8-23-19)14-6-5-13(10-16(14)26-17)27(24,25)12-4-2-3-11(20)9-12/h2-6,9-10,18,23H,7-8H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(RAT) | BDBM50361053
(CHEMBL1935601)Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1 Show InChI InChI=1S/C21H20FNO4S/c22-14-3-1-4-15(11-14)28(24,25)16-5-6-17-18-7-9-23-21(8-2-10-26-13-21)20(18)27-19(17)12-16/h1,3-6,11-12,23H,2,7-10,13H2 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from full length rat 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(RAT) | BDBM50361053
(CHEMBL1935601)Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1 Show InChI InChI=1S/C21H20FNO4S/c22-14-3-1-4-15(11-14)28(24,25)16-5-6-17-18-7-9-23-21(8-2-10-26-13-21)20(18)27-19(17)12-16/h1,3-6,11-12,23H,2,7-10,13H2 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from full length rat 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50065404
((R)-N-((S)-5-Benzenesulfonylamino-1-formyl-pentyl)...)Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1)C=O Show InChI InChI=1S/C23H31N3O7S2/c1-34(29,30)26-22(18-33-17-19-10-4-2-5-11-19)23(28)25-20(16-27)12-8-9-15-24-35(31,32)21-13-6-3-7-14-21/h2-7,10-11,13-14,16,20,22,24,26H,8-9,12,15,17-18H2,1H3,(H,25,28)/t20-,22+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Calpain-II receptor in porcine kidney |
J Med Chem 41: 2663-6 (1998)
Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364316
(CHEMBL1949768)Show SMILES CC(C)Oc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C20H23NO4S/c1-13(2)24-14-4-3-5-15(10-14)26(22,23)16-6-7-17-18-8-9-21-12-20(18)25-19(17)11-16/h3-7,10-11,13,18,20-21H,8-9,12H2,1-2H3/t18-,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50361061
(CHEMBL1935595)Show SMILES COc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC(C)(C)c3oc2c1 Show InChI InChI=1S/C20H21NO4S/c1-20(2)19-17(9-10-21-20)16-8-7-15(12-18(16)25-19)26(22,23)14-6-4-5-13(11-14)24-3/h4-8,11-12,21H,9-10H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from full length human 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050
BindingDB Entry DOI: 10.7270/Q24Q7VFX |
More data for this
Ligand-Target Pair | |
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