Found 535 hits with Last Name = 'salvino' and Initial = 'jm' 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 |
|---|
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
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Similars
| PDB
Article
PubMed
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Drexel University College of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 in human MDA-MB-468 cell membranes |
Bioorg Med Chem Lett 27: 2216-2220 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.030
BindingDB Entry DOI: 10.7270/Q2P84F1X |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50090364
(3-[2-Hydroxycarbamoyl-1-(4-methoxy-benzenesulfonyl...)Show SMILES CCOC(=O)C1CCCC(C1)C(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C19H27NO7S/c1-3-27-19(22)14-6-4-5-13(11-14)17(12-18(21)20-23)28(24,25)16-9-7-15(26-2)8-10-16/h7-10,13-14,17,23H,3-6,11-12H2,1-2H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro inhibition of human recombinant Matrix metalloproteinase-2. |
Bioorg Med Chem Lett 10: 1637-40 (2000)
BindingDB Entry DOI: 10.7270/Q20G3JDK |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50058526
((S)-3-{[(1S,9S)-9-(4-Carboxymethoxy-benzoylamino)-...)Show SMILES OC(=O)COc1ccc(cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)N[C@@H](CC(O)=O)C=O Show InChI InChI=1S/C23H26N4O10/c28-11-14(10-19(30)31)24-22(35)17-2-1-9-26-18(29)8-7-16(23(36)27(17)26)25-21(34)13-3-5-15(6-4-13)37-12-20(32)33/h3-6,11,14,16-17H,1-2,7-10,12H2,(H,24,35)(H,25,34)(H,30,31)(H,32,33)/t14-,16-,17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Winthrop Inc.
Curated by ChEMBL
| Assay Description
Reversible Inhibition constants of the compound against IL-1 beta converting enzyme (ICE) |
J Med Chem 40: 1941-6 (1997)
Article DOI: 10.1021/jm9701637
BindingDB Entry DOI: 10.7270/Q2CC0ZSQ |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50058530
((S)-3-{[(1S,9S)-9-(2-Fluoro-benzoylamino)-6,10-dio...)Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1ccccc1F)C=O Show InChI InChI=1S/C21H23FN4O7/c22-14-5-2-1-4-13(14)19(31)24-15-7-8-17(28)25-9-3-6-16(26(25)21(15)33)20(32)23-12(11-27)10-18(29)30/h1-2,4-5,11-12,15-16H,3,6-10H2,(H,23,32)(H,24,31)(H,29,30)/t12-,15-,16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Winthrop Inc.
Curated by ChEMBL
| Assay Description
Reversible Inhibition constants of the compound against IL-1 beta converting enzyme (ICE) |
J Med Chem 40: 1941-6 (1997)
Article DOI: 10.1021/jm9701637
BindingDB Entry DOI: 10.7270/Q2CC0ZSQ |
More data for this
Ligand-Target Pair | |
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
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| 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 | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50291261
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1 | PDB
Reactome pathway
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| Purchase
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| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Binding affinity to human NK3 receptor by radioligand binding assay |
Bioorg Med Chem Lett 21: 1991-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.033
BindingDB Entry DOI: 10.7270/Q2B56K16 |
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)) | 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 | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50006990
(CHEMBL299499 | N-Adamantan-1-yl-N'-(4-iodo-phenyl)...)Show SMILES NC(Nc1ccc(I)cc1)=NC12CC3CC(CC(C3)C1)C2 |w:10.11,TLB:18:17:20:13.12.14,18:13:20:17.19.16,THB:16:17:12:15.20.14,16:15:12:17.19.18| Show InChI InChI=1S/C17H22IN3/c18-14-1-3-15(4-2-14)20-16(19)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,19,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Drexel University College of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 in human MDA-MB-468 cell membranes |
Bioorg Med Chem Lett 27: 2216-2220 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.030
BindingDB Entry DOI: 10.7270/Q2P84F1X |
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 | |
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 | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50240232
(CHEMBL4080735)Show InChI InChI=1S/C13H11I2N3/c14-9-1-5-11(6-2-9)17-13(16)18-12-7-3-10(15)4-8-12/h1-8H,(H3,16,17,18) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Drexel University College of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [125I]-IPAG from sigma1 in human MDA-MB-468 cell membranes |
Bioorg Med Chem Lett 27: 2216-2220 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.030
BindingDB Entry DOI: 10.7270/Q2P84F1X |
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 | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50090350
(4-Ethyl-3-(4-methoxy-benzenesulfonyl)-octanoic aci...)Show InChI InChI=1S/C17H27NO5S/c1-4-6-7-13(5-2)16(12-17(19)18-20)24(21,22)15-10-8-14(23-3)9-11-15/h8-11,13,16,20H,4-7,12H2,1-3H3,(H,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro inhibition of human recombinant Matrix metalloproteinase-2. |
Bioorg Med Chem Lett 10: 1637-40 (2000)
BindingDB Entry DOI: 10.7270/Q20G3JDK |
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 | |
Caspase-1
(Homo sapiens (Human)) | BDBM50058528
((S)-3-[((1S,9S)-9-Benzoylamino-6,10-dioxo-octahydr...)Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1ccccc1)C=O Show InChI InChI=1S/C21H24N4O7/c26-12-14(11-18(28)29)22-20(31)16-7-4-10-24-17(27)9-8-15(21(32)25(16)24)23-19(30)13-5-2-1-3-6-13/h1-3,5-6,12,14-16H,4,7-11H2,(H,22,31)(H,23,30)(H,28,29)/t14-,15-,16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Winthrop Inc.
Curated by ChEMBL
| Assay Description
Reversible Inhibition constants of the compound against IL-1 beta converting enzyme (ICE) |
J Med Chem 40: 1941-6 (1997)
Article DOI: 10.1021/jm9701637
BindingDB Entry DOI: 10.7270/Q2CC0ZSQ |
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 | |
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 | |
Caspase-1
(Homo sapiens (Human)) | BDBM50058527
((S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylam...)Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C14H23N3O7/c1-6(2)11(16-8(4)18)13(22)15-7(3)12(21)17-9(14(23)24)5-10(19)20/h6-7,9,11H,5H2,1-4H3,(H,15,22)(H,16,18)(H,17,21)(H,19,20)(H,23,24)/t7-,9-,11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
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 |
Sanofi Winthrop Inc.
Curated by ChEMBL
| Assay Description
Reversible Inhibition constants of the compound against IL-1 beta converting enzyme (ICE) |
J Med Chem 40: 1941-6 (1997)
Article DOI: 10.1021/jm9701637
BindingDB Entry DOI: 10.7270/Q2CC0ZSQ |
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 | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50051293
((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...)Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Binding affinity to human NK3 receptor by radioligand binding assay |
Bioorg Med Chem Lett 21: 1991-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.033
BindingDB Entry DOI: 10.7270/Q2B56K16 |
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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
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 | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50090347
(3-Cyclohexyl-N-hydroxy-3-(4-methoxy-benzenesulfony...)Show InChI InChI=1S/C16H23NO5S/c1-22-13-7-9-14(10-8-13)23(20,21)15(11-16(18)17-19)12-5-3-2-4-6-12/h7-10,12,15,19H,2-6,11H2,1H3,(H,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro inhibition of human recombinant Matrix metalloproteinase-2. |
Bioorg Med Chem Lett 10: 1637-40 (2000)
BindingDB Entry DOI: 10.7270/Q20G3JDK |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50090372
(3-(4-Methoxy-benzenesulfonyl)-4-phenyl-pentanoic a...)Show SMILES COc1ccc(cc1)S(=O)(=O)C(CC(=O)NO)C(C)c1ccccc1 Show InChI InChI=1S/C18H21NO5S/c1-13(14-6-4-3-5-7-14)17(12-18(20)19-21)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,17,21H,12H2,1-2H3,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro inhibition of human recombinant Matrix metalloproteinase-2. |
Bioorg Med Chem Lett 10: 1637-40 (2000)
BindingDB Entry DOI: 10.7270/Q20G3JDK |
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 | |
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 | |
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 | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50240230
(CHEMBL4092687)Show InChI InChI=1S/C17H20FN3O2/c1-22-15-9-5-14(6-10-15)21-17(19)20-11-2-12-23-16-7-3-13(18)4-8-16/h3-10H,2,11-12H2,1H3,(H3,19,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Drexel University College of Medicine
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 in human MDA-MB-468 cell membranes |
Bioorg Med Chem Lett 27: 2216-2220 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.030
BindingDB Entry DOI: 10.7270/Q2P84F1X |
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 | |
Caspase-1
(Homo sapiens (Human)) | BDBM50058529
((S)-2-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methy...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C20H27N3O8/c1-11(2)16(23-20(30)31-10-13-7-5-4-6-8-13)18(27)21-12(3)17(26)22-14(19(28)29)9-15(24)25/h4-8,11-12,14,16H,9-10H2,1-3H3,(H,21,27)(H,22,26)(H,23,30)(H,24,25)(H,28,29)/t12-,14-,16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Winthrop Inc.
Curated by ChEMBL
| Assay Description
Reversible Inhibition constants of the compound against IL-1 beta converting enzyme (ICE) |
J Med Chem 40: 1941-6 (1997)
Article DOI: 10.1021/jm9701637
BindingDB Entry DOI: 10.7270/Q2CC0ZSQ |
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 | |
Caspase-1
(Homo sapiens (Human)) | BDBM50176519
((S)-3-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methy...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O Show InChI InChI=1S/C20H27N3O7/c1-12(2)17(23-20(29)30-11-14-7-5-4-6-8-14)19(28)21-13(3)18(27)22-15(10-24)9-16(25)26/h4-8,10,12-13,15,17H,9,11H2,1-3H3,(H,21,28)(H,22,27)(H,23,29)(H,25,26)/t13-,15-,17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against IL-1 beta converting enzyme |
Bioorg Med Chem Lett 5: 315-318 (1995)
Article DOI: 10.1016/0960-894X(95)00027-Q
BindingDB Entry DOI: 10.7270/Q2668D5S |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50286304
((R)-3-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methy...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](CC(O)=O)C=O Show InChI InChI=1S/C20H27N3O7/c1-12(2)17(23-20(29)30-11-14-7-5-4-6-8-14)19(28)21-13(3)18(27)22-15(10-24)9-16(25)26/h4-8,10,12-13,15,17H,9,11H2,1-3H3,(H,21,28)(H,22,27)(H,23,29)(H,25,26)/t13-,15+,17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against IL-1 beta converting enzyme |
Bioorg Med Chem Lett 5: 315-318 (1995)
Article DOI: 10.1016/0960-894X(95)00027-Q
BindingDB Entry DOI: 10.7270/Q2668D5S |
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 | |
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
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| 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 | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50361056
(CHEMBL1935598)Show SMILES COCC1(C)NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C20H20FNO4S/c1-20(12-25-2)19-17(8-9-22-20)16-7-6-15(11-18(16)26-19)27(23,24)14-5-3-4-13(21)10-14/h3-7,10-11,22H,8-9,12H2,1-2H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | 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) | 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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | 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 | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50341098
((3-(4-chlorophenyl)-1H-pyrazol-5-yl)(4-(2-(3-fluor...)Show SMILES Fc1cccc(COc2ccccc2N2CCN(CC2)C(=O)c2cc(n[nH]2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C27H24ClFN4O2/c28-21-10-8-20(9-11-21)23-17-24(31-30-23)27(34)33-14-12-32(13-15-33)25-6-1-2-7-26(25)35-18-19-4-3-5-22(29)16-19/h1-11,16-17H,12-15,18H2,(H,30,31) | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 1991-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.033
BindingDB Entry DOI: 10.7270/Q2B56K16 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50074027
(3-(4-Methoxy-benzenesulfonyl)-7-phenyl-heptanoic a...)Show SMILES COc1ccc(cc1)S(=O)(=O)C(CCCCc1ccccc1)CC(=O)NO Show InChI InChI=1S/C20H25NO5S/c1-26-17-11-13-18(14-12-17)27(24,25)19(15-20(22)21-23)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-14,19,23H,5-6,9-10,15H2,1H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone Poulenc Rorer
Curated by ChEMBL
| Assay Description
In vitro inhibition of human recombinant Matrix metalloproteinase-2. |
Bioorg Med Chem Lett 10: 1637-40 (2000)
BindingDB Entry DOI: 10.7270/Q20G3JDK |
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
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 21 | 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
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 21 | 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)) | BDBM50361062
(CHEMBL1935591)Show InChI InChI=1S/C17H14FNO3S/c18-11-1-3-12(4-2-11)23(20,21)13-5-6-14-15-7-8-19-10-17(15)22-16(14)9-13/h1-6,9,19H,7-8,10H2 | PDB
Reactome pathway
KEGG
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UniChem
Similars
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PubMed
| 22 | 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)) | BDBM50361054
(CHEMBL1935600)Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCOC4)c3oc2c1 Show InChI InChI=1S/C20H18FNO4S/c21-13-2-1-3-14(10-13)27(23,24)15-4-5-16-17-6-8-22-20(7-9-25-12-20)19(17)26-18(16)11-15/h1-5,10-11,22H,6-9,12H2 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
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PubMed
| 22.3 | 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)) | 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
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GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 23 | 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)) | 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
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 23 | 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 | |
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