Found 41 hits with Last Name = 'murdoch' and Initial = 'r' 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 2C
(Rattus norvegicus (Rat)) | BDBM50407854
(CHEMBL96485)Show InChI InChI=1S/C23H23FN2/c1-14-9-10-19-21(22(14)24)18-11-12-25-20(23(18)26-19)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-10,18,20,23,25-26H,11-13H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.955 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards 5-HT 2C receptor in rat stomach fundus |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50407851
(CHEMBL319009)Show SMILES COc1ccc(CC2NCCc3c2[nH]c2c(Br)c(C)ccc32)cc1OC Show InChI InChI=1S/C21H23BrN2O2/c1-12-4-6-14-15-8-9-23-16(20(15)24-21(14)19(12)22)10-13-5-7-17(25-2)18(11-13)26-3/h4-7,11,16,23-24H,8-10H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.04 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards 5-HT 2C receptor in rat stomach fundus |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50407852
(CHEMBL1202891)Show InChI InChI=1S/C23H24N2/c1-15-9-10-21-20(13-15)19-11-12-24-22(23(19)25-21)14-17-7-4-6-16-5-2-3-8-18(16)17/h2-10,13,19,22-25H,11-12,14H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 2.09 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards 5-HT 2C receptor in rat stomach fundus |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50407854
(CHEMBL96485)Show InChI InChI=1S/C23H23FN2/c1-14-9-10-19-21(22(14)24)18-11-12-25-20(23(18)26-19)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-10,18,20,23,25-26H,11-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for 5-HT 2A in rat stomach fundus |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50407851
(CHEMBL319009)Show SMILES COc1ccc(CC2NCCc3c2[nH]c2c(Br)c(C)ccc32)cc1OC Show InChI InChI=1S/C21H23BrN2O2/c1-12-4-6-14-15-8-9-23-16(20(15)24-21(14)19(12)22)10-13-5-7-17(25-2)18(11-13)26-3/h4-7,11,16,23-24H,8-10H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for 5-HT 2A in rat stomach fundus |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50407849
(CHEMBL96480)Show SMILES COc1ccc(CC2NCCc3c2[nH]c2cc(C)c(C)cc32)cc1OC Show InChI InChI=1S/C22H26N2O2/c1-13-9-17-16-7-8-23-19(22(16)24-18(17)10-14(13)2)11-15-5-6-20(25-3)21(12-15)26-4/h5-6,9-10,12,19,23-24H,7-8,11H2,1-4H3 | PDB
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.09 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards 5-HT 2C receptor in rat stomach fundus |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50407852
(CHEMBL1202891)Show InChI InChI=1S/C23H24N2/c1-15-9-10-21-20(13-15)19-11-12-24-22(23(19)25-21)14-17-7-4-6-16-5-2-3-8-18(16)17/h2-10,13,19,22-25H,11-12,14H2,1H3 | PDB
Reactome pathway
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for 5-HT 2A in rat stomach fundus |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50407849
(CHEMBL96480)Show SMILES COc1ccc(CC2NCCc3c2[nH]c2cc(C)c(C)cc32)cc1OC Show InChI InChI=1S/C22H26N2O2/c1-13-9-17-16-7-8-23-19(22(16)24-18(17)10-14(13)2)11-15-5-6-20(25-3)21(12-15)26-4/h5-6,9-10,12,19,23-24H,7-8,11H2,1-4H3 | PDB
Reactome pathway
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for 5-HT 2A in rat stomach fundus |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50407850
(CHEMBL96782)Show SMILES COc1ccc(CC2NCCc3c2[nH]c2c(C)c(C)ccc32)cc1OC Show InChI InChI=1S/C22H26N2O2/c1-13-5-7-16-17-9-10-23-18(22(17)24-21(16)14(13)2)11-15-6-8-19(25-3)20(12-15)26-4/h5-8,12,18,23-24H,9-11H2,1-4H3 | PDB
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards 5-HT 2C receptor in rat stomach fundus |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50407850
(CHEMBL96782)Show SMILES COc1ccc(CC2NCCc3c2[nH]c2c(C)c(C)ccc32)cc1OC Show InChI InChI=1S/C22H26N2O2/c1-13-5-7-16-17-9-10-23-18(22(17)24-21(16)14(13)2)11-15-6-8-19(25-3)20(12-15)26-4/h5-8,12,18,23-24H,9-11H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for 5-HT 2A in rat stomach fundus |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50290014
((S)-2-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-hydrox...)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C23H32N4O9/c1-11(2)19(22(34)24-12(3)20(32)26-17(23(35)36)10-18(30)31)27-21(33)16(25-13(4)28)9-14-5-7-15(29)8-6-14/h5-8,11-12,16-17,19,29H,9-10H2,1-4H3,(H,24,34)(H,25,28)(H,26,32)(H,27,33)(H,30,31)(H,35,36)/t12-,16-,17-,19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
KEGG
PC cid
PC sid
UniChem
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| Article
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of IL-1 beta converting enzyme |
Bioorg Med Chem Lett 7: 2181-2186 (1997)
Article DOI: 10.1016/S0960-894X(97)00394-6
BindingDB Entry DOI: 10.7270/Q2VH5NT2 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Mus musculus (Mouse)) | BDBM50060417
(5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-car...)Show InChI InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22) | PDB
UniProtKB/SwissProt
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| Purchase
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PC sid
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| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity analysed on 5-HT 2C in human clone using [3H]mesulergine as radioligand |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50407848
(CHEMBL96559)Show InChI InChI=1S/C21H24N2O2/c1-13-4-6-17-16(10-13)15-8-9-22-18(21(15)23-17)11-14-5-7-19(24-2)20(12-14)25-3/h4-7,10,12,18,22-23H,8-9,11H2,1-3H3 | PDB
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CHEMBL
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| Article
PubMed
| 12.0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards 5-HT 2C receptor in rat stomach fundus |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM85099
(CAS_141474-54-6 | SDZ SER 082 FUMARATE | SDZ SER-0...)Show InChI InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1 | PDB
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PC sid
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| Article
PubMed
| 15.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity analysed on 5-HT 2C in rat stomach fundus. |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50407853
(CHEMBL94644)Show SMILES COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Br)c1OC Show InChI InChI=1S/C21H23BrN2O2/c1-12-4-6-16-15(10-12)14-8-9-23-17(20(14)24-16)11-13-5-7-18(25-2)21(26-3)19(13)22/h4-7,10,17,23-24H,8-9,11H2,1-3H3 | PDB
Reactome pathway
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PC cid
PC sid
UniChem
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| Article
PubMed
| 16.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for 5-HT 2A in rat stomach fundus |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50407853
(CHEMBL94644)Show SMILES COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Br)c1OC Show InChI InChI=1S/C21H23BrN2O2/c1-12-4-6-16-15(10-12)14-8-9-23-17(20(14)24-16)11-13-5-7-18(25-2)21(26-3)19(13)22/h4-7,10,17,23-24H,8-9,11H2,1-3H3 | PDB
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PubMed
| 18.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards 5-HT 2C receptor in rat stomach fundus |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM85862
(1-(2-Chloro-3,4-dimethoxybenzyl)-6-methyl-2,3,4,9-...)Show SMILES COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Cl)c1OC Show InChI InChI=1S/C21H23ClN2O2/c1-12-4-6-16-15(10-12)14-8-9-23-17(20(14)24-16)11-13-5-7-18(25-2)21(26-3)19(13)22/h4-7,10,17,23-24H,8-9,11H2,1-3H3 | PDB
Reactome pathway
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PubMed
| 19.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for 5-HT 2A in rat stomach fundus |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50407848
(CHEMBL96559)Show InChI InChI=1S/C21H24N2O2/c1-13-4-6-17-16(10-13)15-8-9-22-18(21(15)23-17)11-14-5-7-19(24-2)20(12-14)25-3/h4-7,10,12,18,22-23H,8-9,11H2,1-3H3 | PDB
Reactome pathway
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PubMed
| 22.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for 5-HT 2A in rat stomach fundus |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM85862
(1-(2-Chloro-3,4-dimethoxybenzyl)-6-methyl-2,3,4,9-...)Show SMILES COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Cl)c1OC Show InChI InChI=1S/C21H23ClN2O2/c1-12-4-6-16-15(10-12)14-8-9-23-17(20(14)24-16)11-13-5-7-18(25-2)21(26-3)19(13)22/h4-7,10,17,23-24H,8-9,11H2,1-3H3 | PDB
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| 24.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards 5-HT 2C receptor in rat stomach fundus |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50290012
((S)-2-{(S)-2-[(S)-3-Methyl-2-(3-phenyl-propionylam...)Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C21H29N3O7/c1-12(2)18(24-16(25)10-9-14-7-5-4-6-8-14)20(29)22-13(3)19(28)23-15(21(30)31)11-17(26)27/h4-8,12-13,15,18H,9-11H2,1-3H3,(H,22,29)(H,23,28)(H,24,25)(H,26,27)(H,30,31)/t13-,15-,18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of IL-1 beta converting enzyme |
Bioorg Med Chem Lett 7: 2181-2186 (1997)
Article DOI: 10.1016/S0960-894X(97)00394-6
BindingDB Entry DOI: 10.7270/Q2VH5NT2 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50290009
((S)-3-(2-{3-[2-Acetylamino-2-(4-hydroxy-phenyl)-ac...)Show SMILES CC(=O)NC(C(=O)Nc1ccc(Cc2ccccc2)n(CC(=O)N[C@@H](CC(O)=O)C=O)c1=O)c1ccc(O)cc1 Show InChI InChI=1S/C28H28N4O8/c1-17(34)29-26(19-7-10-22(35)11-8-19)27(39)31-23-12-9-21(13-18-5-3-2-4-6-18)32(28(23)40)15-24(36)30-20(16-33)14-25(37)38/h2-12,16,20,26,35H,13-15H2,1H3,(H,29,34)(H,30,36)(H,31,39)(H,37,38)/t20-,26?/m0/s1 | PDB
MMDB
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Reactome pathway
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| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of IL-1 beta converting enzyme |
Bioorg Med Chem Lett 7: 2181-2186 (1997)
Article DOI: 10.1016/S0960-894X(97)00394-6
BindingDB Entry DOI: 10.7270/Q2VH5NT2 |
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
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| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of IL-1 beta converting enzyme |
Bioorg Med Chem Lett 7: 2181-2186 (1997)
Article DOI: 10.1016/S0960-894X(97)00394-6
BindingDB Entry DOI: 10.7270/Q2VH5NT2 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM85522
(LY-23728 | LY23728)Show InChI InChI=1S/C20H22N2O2/c1-23-18-8-7-13(12-19(18)24-2)11-17-20-15(9-10-21-17)14-5-3-4-6-16(14)22-20/h3-8,12,17,21-22H,9-11H2,1-2H3 | PDB
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| 66.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for 5-HT 2A in rat stomach fundus |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM85522
(LY-23728 | LY23728)Show InChI InChI=1S/C20H22N2O2/c1-23-18-8-7-13(12-19(18)24-2)11-17-20-15(9-10-21-17)14-5-3-4-6-16(14)22-20/h3-8,12,17,21-22H,9-11H2,1-2H3 | PDB
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| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards 5-HT 2C receptor in rat stomach fundus |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Mus musculus (Mouse)) | BDBM82272
(SB 200646 | SB200646a)Show InChI InChI=1S/C15H14N4O/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13/h2-10H,1H3,(H2,17,18,20) | PDB
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| 138 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity analysed on 5-HT 2C in rat stomach fundus |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50290015
((S)-4-Oxo-3-{(S)-2-[2-oxo-3-(3-phenyl-propionylami...)Show SMILES C[C@@H](C(=O)N[C@@H](CC(O)=O)C=O)n1cccc(NC(=O)CCc2ccccc2)c1=O Show InChI InChI=1S/C21H23N3O6/c1-14(20(29)22-16(13-25)12-19(27)28)24-11-5-8-17(21(24)30)23-18(26)10-9-15-6-3-2-4-7-15/h2-8,11,13-14,16H,9-10,12H2,1H3,(H,22,29)(H,23,26)(H,27,28)/t14-,16-/m0/s1 | PDB
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| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of IL-1 beta converting enzyme |
Bioorg Med Chem Lett 7: 2181-2186 (1997)
Article DOI: 10.1016/S0960-894X(97)00394-6
BindingDB Entry DOI: 10.7270/Q2VH5NT2 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50290006
((S)-3-{2-[6-Benzyl-2-oxo-3-(3-phenyl-propionylamin...)Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(Cc2ccccc2)ccc(NC(=O)CCc2ccccc2)c1=O)C=O Show InChI InChI=1S/C27H27N3O6/c31-18-21(16-26(34)35)28-25(33)17-30-22(15-20-9-5-2-6-10-20)12-13-23(27(30)36)29-24(32)14-11-19-7-3-1-4-8-19/h1-10,12-13,18,21H,11,14-17H2,(H,28,33)(H,29,32)(H,34,35)/t21-/m0/s1 | PDB
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| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of IL-1 beta converting enzyme |
Bioorg Med Chem Lett 7: 2181-2186 (1997)
Article DOI: 10.1016/S0960-894X(97)00394-6
BindingDB Entry DOI: 10.7270/Q2VH5NT2 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM85099
(CAS_141474-54-6 | SDZ SER 082 FUMARATE | SDZ SER-0...)Show InChI InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1 | PDB
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| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity analysed on 5-HT 2A in rat stomach fundus. |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50290011
((S)-4-Oxo-3-{2-[2-oxo-6-phenyl-3-(3-phenyl-propion...)Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(ccc(NC(=O)CCc2ccccc2)c1=O)-c1ccccc1)C=O Show InChI InChI=1S/C26H25N3O6/c30-17-20(15-25(33)34)27-24(32)16-29-22(19-9-5-2-6-10-19)13-12-21(26(29)35)28-23(31)14-11-18-7-3-1-4-8-18/h1-10,12-13,17,20H,11,14-16H2,(H,27,32)(H,28,31)(H,33,34)/t20-/m0/s1 | PDB
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UniChem
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| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of IL-1 beta converting enzyme |
Bioorg Med Chem Lett 7: 2181-2186 (1997)
Article DOI: 10.1016/S0960-894X(97)00394-6
BindingDB Entry DOI: 10.7270/Q2VH5NT2 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50290005
((S)-3-{2-[6-Benzyl-2-oxo-3-(3-phenyl-propionylamin...)Show SMILES CC(C(=O)N[C@@H](CC(O)=O)C=O)n1c(Cc2ccccc2)ccc(NC(=O)CCc2ccccc2)c1=O Show InChI InChI=1S/C28H29N3O6/c1-19(27(36)29-22(18-32)17-26(34)35)31-23(16-21-10-6-3-7-11-21)13-14-24(28(31)37)30-25(33)15-12-20-8-4-2-5-9-20/h2-11,13-14,18-19,22H,12,15-17H2,1H3,(H,29,36)(H,30,33)(H,34,35)/t19?,22-/m0/s1 | PDB
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| 970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of IL-1 beta converting enzyme |
Bioorg Med Chem Lett 7: 2181-2186 (1997)
Article DOI: 10.1016/S0960-894X(97)00394-6
BindingDB Entry DOI: 10.7270/Q2VH5NT2 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50290007
((S)-3-{2-[6-Butyl-2-oxo-3-(3-phenyl-propionylamino...)Show SMILES CCCCc1ccc(NC(=O)CCc2ccccc2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C=O Show InChI InChI=1S/C24H29N3O6/c1-2-3-9-19-11-12-20(26-21(29)13-10-17-7-5-4-6-8-17)24(33)27(19)15-22(30)25-18(16-28)14-23(31)32/h4-8,11-12,16,18H,2-3,9-10,13-15H2,1H3,(H,25,30)(H,26,29)(H,31,32)/t18-/m0/s1 | PDB
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UniChem
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of IL-1 beta converting enzyme |
Bioorg Med Chem Lett 7: 2181-2186 (1997)
Article DOI: 10.1016/S0960-894X(97)00394-6
BindingDB Entry DOI: 10.7270/Q2VH5NT2 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50290013
((S)-4-Oxo-3-{2-[2-oxo-6-phenethyl-3-(3-phenyl-prop...)Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(CCc2ccccc2)ccc(NC(=O)CCc2ccccc2)c1=O)C=O Show InChI InChI=1S/C28H29N3O6/c32-19-22(17-27(35)36)29-26(34)18-31-23(13-11-20-7-3-1-4-8-20)14-15-24(28(31)37)30-25(33)16-12-21-9-5-2-6-10-21/h1-10,14-15,19,22H,11-13,16-18H2,(H,29,34)(H,30,33)(H,35,36)/t22-/m0/s1 | PDB
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| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of IL-1 beta converting enzyme |
Bioorg Med Chem Lett 7: 2181-2186 (1997)
Article DOI: 10.1016/S0960-894X(97)00394-6
BindingDB Entry DOI: 10.7270/Q2VH5NT2 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50290016
((S)-2-[2-((S)-2-Benzyloxycarbonylamino-3-methyl-bu...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C19H25N3O8/c1-11(2)16(22-19(29)30-10-12-6-4-3-5-7-12)17(26)20-9-14(23)21-13(18(27)28)8-15(24)25/h3-7,11,13,16H,8-10H2,1-2H3,(H,20,26)(H,21,23)(H,22,29)(H,24,25)(H,27,28)/t13-,16-/m0/s1 | PDB
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| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of IL-1 beta converting enzyme |
Bioorg Med Chem Lett 7: 2181-2186 (1997)
Article DOI: 10.1016/S0960-894X(97)00394-6
BindingDB Entry DOI: 10.7270/Q2VH5NT2 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Mus musculus (Mouse)) | BDBM84991
(CAS_3277600 | NSC_3277600 | SB204741)Show InChI InChI=1S/C14H14N4OS/c1-9-7-13(20-17-9)16-14(19)15-11-3-4-12-10(8-11)5-6-18(12)2/h3-8H,1-2H3,(H2,15,16,19) | PDB
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| 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity analysed on 5-HT 2C in human clone using [3H]mesulergine as radioligand |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50013515
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 | PDB
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| 1.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for 5-HT 2A in rat stomach fundus |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50060417
(5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-car...)Show InChI InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22) | PDB
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| 1.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity analysed on 5-HT 2A human clone using [3H]ketanserin as radioligand |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50290008
((S)-3-{2-[6-Methyl-2-oxo-3-(3-phenyl-propionylamin...)Show SMILES Cc1ccc(NC(=O)CCc2ccccc2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C=O Show InChI InChI=1S/C21H23N3O6/c1-14-7-9-17(23-18(26)10-8-15-5-3-2-4-6-15)21(30)24(14)12-19(27)22-16(13-25)11-20(28)29/h2-7,9,13,16H,8,10-12H2,1H3,(H,22,27)(H,23,26)(H,28,29)/t16-/m0/s1 | PDB
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| 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of IL-1 beta converting enzyme |
Bioorg Med Chem Lett 7: 2181-2186 (1997)
Article DOI: 10.1016/S0960-894X(97)00394-6
BindingDB Entry DOI: 10.7270/Q2VH5NT2 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50290010
((S)-4-Oxo-3-{2-[2-oxo-3-(3-phenyl-propionylamino)-...)Show SMILES OC(=O)C[C@H](NC(=O)Cn1cccc(NC(=O)CCc2ccccc2)c1=O)C=O Show InChI InChI=1S/C20H21N3O6/c24-13-15(11-19(27)28)21-18(26)12-23-10-4-7-16(20(23)29)22-17(25)9-8-14-5-2-1-3-6-14/h1-7,10,13,15H,8-9,11-12H2,(H,21,26)(H,22,25)(H,27,28)/t15-/m0/s1 | PDB
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| 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of IL-1 beta converting enzyme |
Bioorg Med Chem Lett 7: 2181-2186 (1997)
Article DOI: 10.1016/S0960-894X(97)00394-6
BindingDB Entry DOI: 10.7270/Q2VH5NT2 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM82272
(SB 200646 | SB200646a)Show InChI InChI=1S/C15H14N4O/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13/h2-10H,1H3,(H2,17,18,20) | PDB
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| Article
PubMed
| >6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for 5-HT 2A in rat stomach fundus |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM84991
(CAS_3277600 | NSC_3277600 | SB204741)Show InChI InChI=1S/C14H14N4OS/c1-9-7-13(20-17-9)16-14(19)15-11-3-4-12-10(8-11)5-6-18(12)2/h3-8H,1-2H3,(H2,15,16,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| >6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity analysed on 5-HT 2A human clone using [3H]ketanserin as radioligand |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Mus musculus (Mouse)) | BDBM50013515
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
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| Purchase
CHEMBL
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UniChem
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Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity analysed towards 5-HT 2C in rat stomach fundus |
J Med Chem 39: 2773-80 (1996)
Article DOI: 10.1021/jm960062t
BindingDB Entry DOI: 10.7270/Q2DZ09G0 |
More data for this
Ligand-Target Pair | |
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