Found 286 hits with Last Name = 'li' and Initial = 'yg' 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)) | BDBM50353165
(CHEMBL1829472)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ncccn1 |r| Show InChI InChI=1S/C22H25N5O2/c1-17-5-2-14-26(17)15-4-16-29-19-8-6-18(7-9-19)20-10-11-21(28)27(25-20)22-23-12-3-13-24-22/h3,6-13,17H,2,4-5,14-16H2,1H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
| 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50353181
(CHEMBL1829485)Show SMILES C[C@H](COc1ccc(cc1)-c1ccc(=O)n(C)n1)CN1CCC[C@H]1C |r| Show InChI InChI=1S/C20H27N3O2/c1-15(13-23-12-4-5-16(23)2)14-25-18-8-6-17(7-9-18)19-10-11-20(24)22(3)21-19/h6-11,15-16H,4-5,12-14H2,1-3H3/t15-,16+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.40 | 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
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
Similars
| 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50353167
(CHEMBL1829475)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1n[nH]c(=O)cc1C |r| Show InChI InChI=1S/C19H25N3O2/c1-14-13-18(23)20-21-19(14)16-6-8-17(9-7-16)24-12-4-11-22-10-3-5-15(22)2/h6-9,13,15H,3-5,10-12H2,1-2H3,(H,20,23)/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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]NAMH from human cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50353164
(CHEMBL1829469)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(CCO)n1 |r| Show InChI InChI=1S/C20H27N3O3/c1-16-4-2-11-22(16)12-3-15-26-18-7-5-17(6-8-18)19-9-10-20(25)23(21-19)13-14-24/h5-10,16,24H,2-4,11-15H2,1H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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 |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50353163
(CHEMBL1829474)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(-c2ccccn2)c(=O)[nH]n1 |r| Show InChI InChI=1S/C23H26N4O2/c1-17-6-4-13-27(17)14-5-15-29-19-10-8-18(9-11-19)22-16-20(23(28)26-25-22)21-7-2-3-12-24-21/h2-3,7-12,16-17H,4-6,13-15H2,1H3,(H,26,28)/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.10 | 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50353166
(CHEMBL1829473)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(C)c(=O)[nH]n1 |r| Show InChI InChI=1S/C19H25N3O2/c1-14-13-18(20-21-19(14)23)16-6-8-17(9-7-16)24-12-4-11-22-10-3-5-15(22)2/h6-9,13,15H,3-5,10-12H2,1-2H3,(H,21,23)/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.40 | 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50353168
(CHEMBL1829337)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(CCF)n1 |r| Show InChI InChI=1S/C20H26FN3O2/c1-16-4-2-12-23(16)13-3-15-26-18-7-5-17(6-8-18)19-9-10-20(25)24(22-19)14-11-21/h5-10,16H,2-4,11-15H2,1H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.40 | 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50353169
(CHEMBL1829479)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1Cl)-c1ccc(=O)n(C)n1 |r| Show InChI InChI=1S/C19H24ClN3O2/c1-14-5-3-10-23(14)11-4-12-25-18-8-6-15(13-16(18)20)17-7-9-19(24)22(2)21-17/h6-9,13-14H,3-5,10-12H2,1-2H3/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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]NAMH from human cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50353181
(CHEMBL1829485)Show SMILES C[C@H](COc1ccc(cc1)-c1ccc(=O)n(C)n1)CN1CCC[C@H]1C |r| Show InChI InChI=1S/C20H27N3O2/c1-15(13-23-12-4-5-16(23)2)14-25-18-8-6-17(7-9-18)19-10-11-20(24)22(3)21-19/h6-11,15-16H,4-5,12-14H2,1-3H3/t15-,16+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.60 | 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50353170
(CHEMBL1829468)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(CC(F)(F)F)n1 |r| Show InChI InChI=1S/C20H24F3N3O2/c1-15-4-2-11-25(15)12-3-13-28-17-7-5-16(6-8-17)18-9-10-19(27)26(24-18)14-20(21,22)23/h5-10,15H,2-4,11-14H2,1H3/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.70 | 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50353172
(CHEMBL1829477)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1F)-c1ccc(=O)n(C)n1 |r| Show InChI InChI=1S/C19H24FN3O2/c1-14-5-3-10-23(14)11-4-12-25-18-8-6-15(13-16(18)20)17-7-9-19(24)22(2)21-17/h6-9,13-14H,3-5,10-12H2,1-2H3/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.80 | 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50353173
(CHEMBL1829481)Show SMILES C[C@@H]1CCCN1CCCOc1c(F)cc(cc1F)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H21F2N3O2/c1-12-4-2-7-23(12)8-3-9-25-18-14(19)10-13(11-15(18)20)16-5-6-17(24)22-21-16/h5-6,10-12H,2-4,7-9H2,1H3,(H,22,24)/t12-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.10 | 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
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
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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50353165
(CHEMBL1829472)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ncccn1 |r| Show InChI InChI=1S/C22H25N5O2/c1-17-5-2-14-26(17)15-4-16-29-19-8-6-18(7-9-19)20-10-11-21(28)27(25-20)22-23-12-3-13-24-22/h3,6-13,17H,2,4-5,14-16H2,1H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50353166
(CHEMBL1829473)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(C)c(=O)[nH]n1 |r| Show InChI InChI=1S/C19H25N3O2/c1-14-13-18(20-21-19(14)23)16-6-8-17(9-7-16)24-12-4-11-22-10-3-5-15(22)2/h6-9,13,15H,3-5,10-12H2,1-2H3,(H,21,23)/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
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 rat cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50353164
(CHEMBL1829469)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(CCO)n1 |r| Show InChI InChI=1S/C20H27N3O3/c1-16-4-2-11-22(16)12-3-15-26-18-7-5-17(6-8-18)19-9-10-20(25)23(21-19)13-14-24/h5-10,16,24H,2-4,11-15H2,1H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 9.5 | 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50353163
(CHEMBL1829474)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(-c2ccccn2)c(=O)[nH]n1 |r| Show InChI InChI=1S/C23H26N4O2/c1-17-6-4-13-27(17)14-5-15-29-19-10-8-18(9-11-19)22-16-20(23(28)26-25-22)21-7-2-3-12-24-21/h2-3,7-12,16-17H,4-6,13-15H2,1H3,(H,26,28)/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Patents
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| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50353174
(CHEMBL1829471)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccccn1 |r| Show InChI InChI=1S/C23H26N4O2/c1-18-6-4-15-26(18)16-5-17-29-20-10-8-19(9-11-20)21-12-13-23(28)27(25-21)22-7-2-3-14-24-22/h2-3,7-14,18H,4-6,15-17H2,1H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Patents
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| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50353170
(CHEMBL1829468)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(CC(F)(F)F)n1 |r| Show InChI InChI=1S/C20H24F3N3O2/c1-15-4-2-11-25(15)12-3-13-28-17-7-5-16(6-8-17)18-9-10-19(27)26(24-18)14-20(21,22)23/h5-10,15H,2-4,11-14H2,1H3/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Patents
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| 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50353168
(CHEMBL1829337)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(CCF)n1 |r| Show InChI InChI=1S/C20H26FN3O2/c1-16-4-2-12-23(16)13-3-15-26-18-7-5-17(6-8-18)19-9-10-20(25)24(22-19)14-11-21/h5-10,16H,2-4,11-15H2,1H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50353177
(CHEMBL1829480)Show SMILES C[C@@H]1CCCN1CCCOc1c(F)cc(cc1F)-c1ccc(=O)n(C)n1 |r| Show InChI InChI=1S/C19H23F2N3O2/c1-13-5-3-8-24(13)9-4-10-26-19-15(20)11-14(12-16(19)21)17-6-7-18(25)23(2)22-17/h6-7,11-13H,3-5,8-10H2,1-2H3/t13-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Patents
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| 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 human cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50353171
(CHEMBL1829476)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1n[nH]c(=O)cc1-c1ccccn1 |r| Show InChI InChI=1S/C23H26N4O2/c1-17-6-4-13-27(17)14-5-15-29-19-10-8-18(9-11-19)23-20(16-22(28)25-26-23)21-7-2-3-12-24-21/h2-3,7-12,16-17H,4-6,13-15H2,1H3,(H,25,28)/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
Patents
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| 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 human cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50353167
(CHEMBL1829475)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1n[nH]c(=O)cc1C |r| Show InChI InChI=1S/C19H25N3O2/c1-14-13-18(23)20-21-19(14)16-6-8-17(9-7-16)24-12-4-11-22-10-3-5-15(22)2/h6-9,13,15H,3-5,10-12H2,1-2H3,(H,20,23)/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Patents
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| 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50353169
(CHEMBL1829479)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1Cl)-c1ccc(=O)n(C)n1 |r| Show InChI InChI=1S/C19H24ClN3O2/c1-14-5-3-10-23(14)11-4-12-25-18-8-6-15(13-16(18)20)17-7-9-19(24)22(2)21-17/h6-9,13-14H,3-5,10-12H2,1-2H3/t14-/m1/s1 | PDB
Reactome pathway
KEGG
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UniChem
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| 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]NAMH from rat cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50353176
(CHEMBL1829486)Show SMILES C[C@@H](COc1ccc(cc1)-c1ccc(=O)n(C)n1)CN1CCC[C@H]1C |r| Show InChI InChI=1S/C20H27N3O2/c1-15(13-23-12-4-5-16(23)2)14-25-18-8-6-17(7-9-18)19-10-11-20(24)22(3)21-19/h6-11,15-16H,4-5,12-14H2,1-3H3/t15-,16-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Patents
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| 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]NAMH from human cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50353175
(CHEMBL1829478)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(c(F)c1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H22FN3O2/c1-13-4-2-9-22(13)10-3-11-24-14-5-6-15(16(19)12-14)17-7-8-18(23)21-20-17/h5-8,12-13H,2-4,9-11H2,1H3,(H,21,23)/t13-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Patents
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| 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50353174
(CHEMBL1829471)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccccn1 |r| Show InChI InChI=1S/C23H26N4O2/c1-18-6-4-15-26(18)16-5-17-29-20-10-8-19(9-11-20)21-12-13-23(28)27(25-21)22-7-2-3-14-24-22/h2-3,7-14,18H,4-6,15-17H2,1H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Patents
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| Article
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]NAMH from rat cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50353172
(CHEMBL1829477)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1F)-c1ccc(=O)n(C)n1 |r| Show InChI InChI=1S/C19H24FN3O2/c1-14-5-3-10-23(14)11-4-12-25-18-8-6-15(13-16(18)20)17-7-9-19(24)22(2)21-17/h6-9,13-14H,3-5,10-12H2,1-2H3/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
Patents
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| Article
PubMed
| 27 | 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50353179
(CHEMBL1829484)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cn1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C17H22N4O2/c1-13-4-2-9-21(13)10-3-11-23-17-8-5-14(12-18-17)15-6-7-16(22)20-19-15/h5-8,12-13H,2-4,9-11H2,1H3,(H,20,22)/t13-/m1/s1 | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Patents
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| Article
PubMed
| 35 | 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50353178
(CHEMBL1829483)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1C#N)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C19H22N4O2/c1-14-4-2-9-23(14)10-3-11-25-18-7-5-15(12-16(18)13-20)17-6-8-19(24)22-21-17/h5-8,12,14H,2-4,9-11H2,1H3,(H,22,24)/t14-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Patents
| Article
PubMed
| 38 | 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50353173
(CHEMBL1829481)Show SMILES C[C@@H]1CCCN1CCCOc1c(F)cc(cc1F)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H21F2N3O2/c1-12-4-2-7-23(12)8-3-9-25-18-14(19)10-13(11-15(18)20)16-5-6-17(24)22-21-16/h5-6,10-12H,2-4,7-9H2,1H3,(H,22,24)/t12-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Patents
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| Article
PubMed
| 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 rat cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50353177
(CHEMBL1829480)Show SMILES C[C@@H]1CCCN1CCCOc1c(F)cc(cc1F)-c1ccc(=O)n(C)n1 |r| Show InChI InChI=1S/C19H23F2N3O2/c1-13-5-3-8-24(13)9-4-10-26-19-15(20)11-14(12-16(19)21)17-6-7-18(25)23(2)22-17/h6-7,11-13H,3-5,8-10H2,1-2H3/t13-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 41 | 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Cocaine esterase
(Homo sapiens (Human)) | BDBM50154561
(CHEMBL3774603)Show SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCC |r,t:15| Show InChI InChI=1S/C36H56O6/c1-9-41-30(40)33(5)19-18-32(4)20-21-35(7)23(24(32)22-33)10-11-26-34(6)16-15-27(42-29(39)13-12-28(37)38)31(2,3)25(34)14-17-36(26,35)8/h10,24-27H,9,11-22H2,1-8H3,(H,37,38)/t24-,25-,26+,27-,32+,33-,34-,35+,36+/m0/s1 | NCI pathway
KEGG
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Institute of Chemical Physics
Curated by ChEMBL
| Assay Description
Competitive inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addit... |
Eur J Med Chem 112: 280-8 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50353176
(CHEMBL1829486)Show SMILES C[C@@H](COc1ccc(cc1)-c1ccc(=O)n(C)n1)CN1CCC[C@H]1C |r| Show InChI InChI=1S/C20H27N3O2/c1-15(13-23-12-4-5-16(23)2)14-25-18-8-6-17(7-9-18)19-10-11-20(24)22(3)21-19/h6-11,15-16H,4-5,12-14H2,1-3H3/t15-,16-/m1/s1 | PDB
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| 52 | 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50353175
(CHEMBL1829478)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(c(F)c1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H22FN3O2/c1-13-4-2-9-22(13)10-3-11-24-14-5-6-15(16(19)12-14)17-7-8-18(23)21-20-17/h5-8,12-13H,2-4,9-11H2,1H3,(H,21,23)/t13-/m1/s1 | PDB
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| 69 | 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50353179
(CHEMBL1829484)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cn1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C17H22N4O2/c1-13-4-2-9-21(13)10-3-11-23-17-8-5-14(12-18-17)15-6-7-16(22)20-19-15/h5-8,12-13H,2-4,9-11H2,1H3,(H,20,22)/t13-/m1/s1 | PDB
Reactome pathway
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| 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 rat cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50353171
(CHEMBL1829476)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1n[nH]c(=O)cc1-c1ccccn1 |r| Show InChI InChI=1S/C23H26N4O2/c1-17-6-4-13-27(17)14-5-15-29-19-10-8-18(9-11-19)23-20(16-22(28)25-26-23)21-7-2-3-12-24-21/h2-3,7-12,16-17H,4-6,13-15H2,1H3,(H,25,28)/t17-/m1/s1 | PDB
Reactome pathway
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| 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 rat cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50353178
(CHEMBL1829483)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1C#N)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C19H22N4O2/c1-14-4-2-9-23(14)10-3-11-25-18-7-5-15(12-16(18)13-20)17-6-8-19(24)22-21-17/h5-8,12,14H,2-4,9-11H2,1H3,(H,22,24)/t14-/m1/s1 | PDB
Reactome pathway
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PubMed
| 111 | 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50353180
(CHEMBL1829482)Show SMILES COc1cc(OCCCN2CCC[C@H]2C)ccc1-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C19H25N3O3/c1-14-5-3-10-22(14)11-4-12-25-15-6-7-16(18(13-15)24-2)17-8-9-19(23)21-20-17/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,21,23)/t14-/m1/s1 | PDB
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| 152 | 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50353180
(CHEMBL1829482)Show SMILES COc1cc(OCCCN2CCC[C@H]2C)ccc1-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C19H25N3O3/c1-14-5-3-10-22(14)11-4-12-25-15-6-7-16(18(13-15)24-2)17-8-9-19(23)21-20-17/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,21,23)/t14-/m1/s1 | PDB
Reactome pathway
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| 229 | 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 cloned histamine 3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 5493-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM8125
((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1 | PDB
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| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Science and Peking Union Medical College
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincub... |
Bioorg Med Chem Lett 29: 357-361 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.040
BindingDB Entry DOI: 10.7270/Q2GX4FZQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cocaine esterase
(Homo sapiens (Human)) | BDBM50154561
(CHEMBL3774603)Show SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCC |r,t:15| Show InChI InChI=1S/C36H56O6/c1-9-41-30(40)33(5)19-18-32(4)20-21-35(7)23(24(32)22-33)10-11-26-34(6)16-15-27(42-29(39)13-12-28(37)38)31(2,3)25(34)14-17-36(26,35)8/h10,24-27H,9,11-22H2,1-8H3,(H,37,38)/t24-,25-,26+,27-,32+,33-,34-,35+,36+/m0/s1 | NCI pathway
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Institute of Chemical Physics
Curated by ChEMBL
| Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured... |
Eur J Med Chem 112: 280-8 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50518684
(CHEMBL4448278)Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(N)cc3)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9| Show InChI InChI=1S/C50H75N3O5S/c1-32(2)30-53(59(57,58)37-17-15-36(51)16-18-37)31-40(54)39(29-35-13-11-10-12-14-35)52-45(56)50-26-21-33(3)34(4)44(50)38-19-20-42-47(7)24-23-43(55)46(5,6)41(47)22-25-49(42,9)48(38,8)27-28-50/h10-19,32-34,39-44,54-55H,20-31,51H2,1-9H3,(H,52,56)/t33-,34+,39+,40-,41+,42-,43+,44+,47+,48-,49-,50+/m1/s1 | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Science and Peking Union Medical College
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincub... |
Bioorg Med Chem Lett 29: 357-361 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.040
BindingDB Entry DOI: 10.7270/Q2GX4FZQ |
More data for this
Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM50130915
(CHEBI:3122 | CHEMBL1231178)Show SMILES OP(=O)(Oc1ccc(cc1)[N+]([O-])=O)Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20) | PDB
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Institute of Chemical Physics
Curated by ChEMBL
| Assay Description
Inhibition of CE1 in human liver microsomes using 2-(2-Benzoyl-3-methoxyphenyl) benzothiazole as substrate preincubated for 10 mins followed by subst... |
Eur J Med Chem 112: 280-8 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.020
BindingDB Entry DOI: 10.7270/Q2TQ63D6 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50518687
(CHEMBL4530869)Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(OC)cc3)[C@@]1(C)C[C@@H](O)[C@H](O)[C@@]2(C)CO |r,t:9| Show InChI InChI=1S/C51H76N2O8S/c1-32(2)29-53(62(59,60)37-17-15-36(61-9)16-18-37)30-41(56)39(27-35-13-11-10-12-14-35)52-46(58)51-24-21-33(3)34(4)44(51)38-19-20-43-47(5)28-40(55)45(57)48(6,31-54)42(47)22-23-50(43,8)49(38,7)25-26-51/h10-19,32-34,39-45,54-57H,20-31H2,1-9H3,(H,52,58)/t33-,34+,39+,40-,41-,42-,43-,44+,45+,47+,48+,49-,50-,51+/m1/s1 | PDB
UniProtKB/TrEMBL
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Science and Peking Union Medical College
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincub... |
Bioorg Med Chem Lett 29: 357-361 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.040
BindingDB Entry DOI: 10.7270/Q2GX4FZQ |
More data for this
Ligand-Target Pair | |
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