Found 488 hits with Last Name = 'mallamo' and Initial = 'jp' 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 |
|---|
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50350022
(CHEMBL1813057)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)n1 |r| Show InChI InChI=1S/C19H25N3O2/c1-15-5-3-12-22(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(23)21(2)20-18/h6-11,15H,3-5,12-14H2,1-2H3/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.40 | 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]NAMH from human histamine H3 receptor expressed in CHO cells |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50262939
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human H3 receptor |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50350021
(CHEMBL1813067)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| 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
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
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 | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50350030
(CHEMBL1813060)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C24H27N3O2/c1-19-7-5-16-26(19)17-6-18-29-22-12-10-20(11-13-22)23-14-15-24(28)27(25-23)21-8-3-2-4-9-21/h2-4,8-15,19H,5-7,16-18H2,1H3/t19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 2.5 | 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]NAMH from human histamine H3 receptor expressed in CHO cells |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50350021
(CHEMBL1813067)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H3 receptor in rat cortical membrane |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50350023
(CHEMBL1813065)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn[nH]c(=O)c1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-9-21(14)10-3-11-23-17-7-5-15(6-8-17)16-12-18(22)20-19-13-16/h5-8,12-14H,2-4,9-11H2,1H3,(H,20,22)/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.80 | 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]NAMH from human histamine H3 receptor expressed in CHO cells |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50350028
(CHEMBL1813058)Show SMILES CCn1nc(ccc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O2/c1-3-23-20(24)12-11-19(21-23)17-7-9-18(10-8-17)25-15-5-14-22-13-4-6-16(22)2/h7-12,16H,3-6,13-15H2,1-2H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 3.90 | 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]NAMH from human histamine H3 receptor expressed in CHO cells |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
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 | |
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 | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50350029
(CHEMBL1813059)Show SMILES CC(C)n1nc(ccc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C21H29N3O2/c1-16(2)24-21(25)12-11-20(22-24)18-7-9-19(10-8-18)26-15-5-14-23-13-4-6-17(23)3/h7-12,16-17H,4-6,13-15H2,1-3H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.80 | 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]NAMH from human histamine H3 receptor expressed in CHO cells |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
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 | |
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 | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50350022
(CHEMBL1813057)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)n1 |r| Show InChI InChI=1S/C19H25N3O2/c1-15-5-3-12-22(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(23)21(2)20-18/h6-11,15H,3-5,12-14H2,1-2H3/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.30 | 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]NAMH from rat histamine H3 receptor expressed in CHO cells |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50350031
(CHEMBL1813061)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(Cc2ccccc2)n1 |r| Show InChI InChI=1S/C25H29N3O2/c1-20-7-5-16-27(20)17-6-18-30-23-12-10-22(11-13-23)24-14-15-25(29)28(26-24)19-21-8-3-2-4-9-21/h2-4,8-15,20H,5-7,16-19H2,1H3/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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]NAMH from human histamine H3 receptor expressed in CHO cells |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
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 | |
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 | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50350021
(CHEMBL1813067)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1 | PDB
Reactome pathway
KEGG
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CHEMBL
MCE
PC cid
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UniChem
Patents
Similars
| Article
PubMed
| 7.20 | 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]NAMH from rat histamine H3 receptor expressed in CHO cells |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50350029
(CHEMBL1813059)Show SMILES CC(C)n1nc(ccc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C21H29N3O2/c1-16(2)24-21(25)12-11-20(22-24)18-7-9-19(10-8-18)26-15-5-14-23-13-4-6-17(23)3/h7-12,16-17H,4-6,13-15H2,1-3H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
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UniChem
Patents
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| Article
PubMed
| 7.60 | 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]NAMH from rat histamine H3 receptor expressed in CHO cells |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50350030
(CHEMBL1813060)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C24H27N3O2/c1-19-7-5-16-26(19)17-6-18-29-22-12-10-20(11-13-22)23-14-15-24(28)27(25-23)21-8-3-2-4-9-21/h2-4,8-15,19H,5-7,16-18H2,1H3/t19-/m1/s1 | PDB
Reactome pathway
KEGG
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UniChem
Patents
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| Article
PubMed
| 7.90 | 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]NAMH from rat histamine H3 receptor expressed in CHO cells |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
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
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MCE
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UniChem
Patents
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| 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)) | BDBM50080227
(CHEMBL305715 | N-((S)-1-Benzyl-2-{2-[5-(3-cyano-ph...)Show SMILES Clc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1cccc(c1)C#N Show InChI InChI=1S/C30H24Cl2N4O5S2/c31-22-10-5-11-23(32)27(22)29(38)36-24(17-19-6-2-1-3-7-19)28(37)30(39)34-14-15-35-43(40,41)26-13-12-25(42-26)21-9-4-8-20(16-21)18-33/h1-13,16,24,35H,14-15,17H2,(H,34,39)(H,36,38)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| 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 |
Cephalon Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human calpain I |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
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
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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 | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50350023
(CHEMBL1813065)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn[nH]c(=O)c1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-9-21(14)10-3-11-23-17-7-5-15(6-8-17)16-12-18(22)20-19-13-16/h5-8,12-14H,2-4,9-11H2,1H3,(H,20,22)/t14-/m1/s1 | PDB
Reactome pathway
KEGG
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UniChem
Patents
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| Article
PubMed
| 8.5 | 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]NAMH from rat histamine H3 receptor expressed in CHO cells |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50350026
(CHEMBL1813055)Show InChI InChI=1S/C18H23N3O2/c22-18-10-9-17(19-20-18)15-5-7-16(8-6-15)23-14-4-13-21-11-2-1-3-12-21/h5-10H,1-4,11-14H2,(H,20,22) | PDB
Reactome pathway
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UniChem
Patents
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| Article
PubMed
| 8.70 | 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]NAMH from human histamine H3 receptor expressed in CHO cells |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
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
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| 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
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| 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)) | 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
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antibodypedia
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| 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
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antibodypedia
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| CHEMBL
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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)) | 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
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| 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 | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50139391
((R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofu...)Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3/t16-/m1/s1 | PDB
Reactome pathway
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MCE
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UniChem
Patents
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| Article
PubMed
| 9.10 | 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]NAMH from human histamine H3 receptor expressed in CHO cells |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50350033
(CHEMBL1813063)Show SMILES Cn1nc(ccc1=O)-c1ccc(OCCCN2CCC[C@H]2CO)cc1 |r| Show InChI InChI=1S/C19H25N3O3/c1-21-19(24)10-9-18(20-21)15-5-7-17(8-6-15)25-13-3-12-22-11-2-4-16(22)14-23/h5-10,16,23H,2-4,11-14H2,1H3/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9.20 | 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]NAMH from human histamine H3 receptor expressed in CHO cells |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080220
((S)-3-((R)-3-Benzyloxy-2-methanesulfonylamino-prop...)Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C32H35N5O8S3/c1-47(41,42)37-27(22-45-21-24-12-6-3-7-13-24)31(39)36-26(20-23-10-4-2-5-11-23)30(38)32(40)34-18-19-35-48(43,44)29-16-15-28(46-29)25-14-8-9-17-33-25/h2-17,26-27,35,37H,18-22H2,1H3,(H,34,40)(H,36,39)/t26-,27+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
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
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antibodypedia
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
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 | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50350028
(CHEMBL1813058)Show SMILES CCn1nc(ccc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O2/c1-3-23-20(24)12-11-19(21-23)17-7-9-18(10-8-17)25-15-5-14-22-13-4-6-16(22)2/h7-12,16H,3-6,13-15H2,1-2H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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]NAMH from rat histamine H3 receptor expressed in CHO cells |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
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)) | 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-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)) | 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 | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50350031
(CHEMBL1813061)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(Cc2ccccc2)n1 |r| Show InChI InChI=1S/C25H29N3O2/c1-20-7-5-16-27(20)17-6-18-30-23-12-10-22(11-13-23)24-14-15-25(29)28(26-24)19-21-8-3-2-4-9-21/h2-4,8-15,20H,5-7,16-19H2,1H3/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 12 | 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]NAMH from rat histamine H3 receptor expressed in CHO cells |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
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 | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080225
(CHEMBL311512 | N-[(S)-2-(2-{5-[3-(Acetylamino-meth...)Show SMILES CC(=O)NCc1cccc(c1)-c1ccc(s1)S(=O)(=O)NCCNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C32H30Cl2N4O6S2/c1-20(39)36-19-22-9-5-10-23(17-22)27-13-14-28(45-27)46(43,44)37-16-15-35-32(42)30(40)26(18-21-7-3-2-4-8-21)38-31(41)29-24(33)11-6-12-25(29)34/h2-14,17,26,37H,15-16,18-19H2,1H3,(H,35,42)(H,36,39)(H,38,41)/t26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
Inhibitory activity against recombinant human calpain I |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080217
(CHEMBL80867 | N-{(S)-1-Benzyl-2-oxo-2-[2-(5-pyridi...)Show SMILES Fc1cccc(F)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C28H24F2N4O5S2/c29-19-9-6-10-20(30)25(19)27(36)34-22(17-18-7-2-1-3-8-18)26(35)28(37)32-15-16-33-41(38,39)24-13-12-23(40-24)21-11-4-5-14-31-21/h1-14,22,33H,15-17H2,(H,32,37)(H,34,36)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
Inhibitory activity against recombinant human calpain I |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080231
(CHEMBL312549 | N-((S)-1-Benzyl-2-{2-[5-(3-formyl-p...)Show SMILES Clc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1cccc(C=O)c1 Show InChI InChI=1S/C30H25Cl2N3O6S2/c31-22-10-5-11-23(32)27(22)29(38)35-24(17-19-6-2-1-3-7-19)28(37)30(39)33-14-15-34-43(40,41)26-13-12-25(42-26)21-9-4-8-20(16-21)18-36/h1-13,16,18,24,34H,14-15,17H2,(H,33,39)(H,35,38)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
Inhibitory activity against recombinant human calpain I |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50350025
(CHEMBL1813054)Show InChI InChI=1S/C17H21N3O2/c21-17-9-8-16(18-19-17)14-4-6-15(7-5-14)22-13-3-12-20-10-1-2-11-20/h4-9H,1-3,10-13H2,(H,19,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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]NAMH from human histamine H3 receptor expressed in CHO cells |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50350024
(CHEMBL1813053)Show SMILES C[C@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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]NAMH from human histamine H3 receptor expressed in CHO cells |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
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 | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50080222
(4-Methyl-pentanoic acid {(S)-1-benzyl-2-oxo-2-[2-(...)Show SMILES CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C27H32N4O5S2/c1-19(2)11-13-24(32)31-22(18-20-8-4-3-5-9-20)26(33)27(34)29-16-17-30-38(35,36)25-14-12-23(37-25)21-10-6-7-15-28-21/h3-10,12,14-15,19,22,30H,11,13,16-18H2,1-2H3,(H,29,34)(H,31,32)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
Inhibitory activity against recombinant human Calpain 1 |
Bioorg Med Chem Lett 9: 2371-4 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1BHT |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50350032
(CHEMBL1813062)Show InChI InChI=1S/C19H25N3O2/c1-21-19(23)11-10-18(20-21)16-6-8-17(9-7-16)24-15-5-14-22-12-3-2-4-13-22/h6-11H,2-5,12-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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]NAMH from human histamine H3 receptor expressed in CHO cells |
J Med Chem 54: 4781-92 (2011)
Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB |
More data for this
Ligand-Target Pair | |
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