Found 17 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50048528 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 H1 receptor
(Homo sapiens (Human)) | BDBM50220400
(CHEMBL64884)Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2cccn2C)cc1 Show InChI InChI=1S/C25H35N3O3/c1-3-4-5-9-24(29)21-10-12-22(13-11-21)31-20-7-15-27-16-18-28(19-17-27)25(30)23-8-6-14-26(23)2/h6,8,10-14H,3-5,7,9,15-20H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for the human Histamine H1 Receptor |
Bioorg Med Chem Lett 12: 2031-4 (2002)
BindingDB Entry DOI: 10.7270/Q2MK6G21 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50220411
(CHEMBL291882)Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2sccc2Cl)cc1 Show InChI InChI=1S/C24H31ClN2O3S/c1-2-3-4-6-22(28)19-7-9-20(10-8-19)30-17-5-12-26-13-15-27(16-14-26)24(29)23-21(25)11-18-31-23/h7-11,18H,2-6,12-17H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for the human Histamine H1 Receptor |
Bioorg Med Chem Lett 12: 2031-4 (2002)
BindingDB Entry DOI: 10.7270/Q2MK6G21 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50220071
(CHEMBL294519)Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C26H34N2O3/c1-2-3-5-11-25(29)22-12-14-24(15-13-22)31-21-8-16-27-17-19-28(20-18-27)26(30)23-9-6-4-7-10-23/h4,6-7,9-10,12-15H,2-3,5,8,11,16-21H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 288 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for the human Histamine H1 Receptor |
Bioorg Med Chem Lett 12: 2031-4 (2002)
BindingDB Entry DOI: 10.7270/Q2MK6G21 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50220337
(CHEMBL62312)Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2ccco2)cc1 Show InChI InChI=1S/C24H32N2O4/c1-2-3-4-7-22(27)20-9-11-21(12-10-20)29-19-6-13-25-14-16-26(17-15-25)24(28)23-8-5-18-30-23/h5,8-12,18H,2-4,6-7,13-17,19H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for the human Histamine H1 Receptor |
Bioorg Med Chem Lett 12: 2031-4 (2002)
BindingDB Entry DOI: 10.7270/Q2MK6G21 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50220143
(CHEMBL449040)Show SMILES CCCCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OCC)cc1 Show InChI InChI=1S/C24H38N2O4/c1-3-5-6-7-8-10-23(27)21-11-13-22(14-12-21)30-20-9-15-25-16-18-26(19-17-25)24(28)29-4-2/h11-14H,3-10,15-20H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 562 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for the human Histamine H1 Receptor |
Bioorg Med Chem Lett 12: 2031-4 (2002)
BindingDB Entry DOI: 10.7270/Q2MK6G21 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50220398
(CHEMBL64317)Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OCCCC)cc1 Show InChI InChI=1S/C24H38N2O4/c1-3-5-7-9-23(27)21-10-12-22(13-11-21)29-20-8-14-25-15-17-26(18-16-25)24(28)30-19-6-4-2/h10-13H,3-9,14-20H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 575 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for the human Histamine H1 Receptor |
Bioorg Med Chem Lett 12: 2031-4 (2002)
BindingDB Entry DOI: 10.7270/Q2MK6G21 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50220213
(CHEMBL292275)Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)\C=C\c2ccc(OC)cc2)CC1 Show InChI InChI=1S/C26H32N2O5/c1-3-32-26(30)28-18-16-27(17-19-28)15-4-20-33-24-12-8-22(9-13-24)25(29)14-7-21-5-10-23(31-2)11-6-21/h5-14H,3-4,15-20H2,1-2H3/b14-7+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| 617 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for the human Histamine H1 Receptor |
Bioorg Med Chem Lett 12: 2031-4 (2002)
BindingDB Entry DOI: 10.7270/Q2MK6G21 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50220111
(CHEMBL64334)Show InChI InChI=1S/C23H38N2O2/c1-3-5-7-9-23(26)21-10-12-22(13-11-21)27-20-8-15-25-18-16-24(17-19-25)14-6-4-2/h10-13H,3-9,14-20H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 661 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for the human Histamine H1 Receptor |
Bioorg Med Chem Lett 12: 2031-4 (2002)
BindingDB Entry DOI: 10.7270/Q2MK6G21 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50220395
(CHEMBL264761)Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C(C)=C)CC1 Show InChI InChI=1S/C20H28N2O4/c1-4-25-20(24)22-13-11-21(12-14-22)10-5-15-26-18-8-6-17(7-9-18)19(23)16(2)3/h6-9H,2,4-5,10-15H2,1,3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 977 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for the human Histamine H1 Receptor |
Bioorg Med Chem Lett 12: 2031-4 (2002)
BindingDB Entry DOI: 10.7270/Q2MK6G21 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50220416
(CHEMBL304027)Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)c2cccc(F)c2F)CC1 Show InChI InChI=1S/C23H26F2N2O4/c1-2-30-23(29)27-14-12-26(13-15-27)11-4-16-31-18-9-7-17(8-10-18)22(28)19-5-3-6-20(24)21(19)25/h3,5-10H,2,4,11-16H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for the human Histamine H1 Receptor |
Bioorg Med Chem Lett 12: 2031-4 (2002)
BindingDB Entry DOI: 10.7270/Q2MK6G21 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50220399
(CHEMBL64235)Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)CSCC)cc1 Show InChI InChI=1S/C23H36N2O3S/c1-3-5-6-8-22(26)20-9-11-21(12-10-20)28-18-7-13-24-14-16-25(17-15-24)23(27)19-29-4-2/h9-12H,3-8,13-19H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for the human Histamine H1 Receptor |
Bioorg Med Chem Lett 12: 2031-4 (2002)
BindingDB Entry DOI: 10.7270/Q2MK6G21 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50220142
(CHEMBL62066)Show InChI InChI=1S/C19H28N2O4/c1-3-18(22)16-6-8-17(9-7-16)25-15-5-10-20-11-13-21(14-12-20)19(23)24-4-2/h6-9H,3-5,10-15H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for the human Histamine H1 Receptor |
Bioorg Med Chem Lett 12: 2031-4 (2002)
BindingDB Entry DOI: 10.7270/Q2MK6G21 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50220401
(CHEMBL294502)Show InChI InChI=1S/C22H34N2O3/c1-3-5-6-8-21(25)19-9-11-20(12-10-19)27-18-7-13-23-14-16-24(17-15-23)22(26)4-2/h9-12H,3-8,13-18H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for the human Histamine H1 Receptor |
Bioorg Med Chem Lett 12: 2031-4 (2002)
BindingDB Entry DOI: 10.7270/Q2MK6G21 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50220410
(CHEMBL62115)Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2cnccn2)cc1 Show InChI InChI=1S/C24H32N4O3/c1-2-3-4-6-23(29)20-7-9-21(10-8-20)31-18-5-13-27-14-16-28(17-15-27)24(30)22-19-25-11-12-26-22/h7-12,19H,2-6,13-18H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for the human Histamine H1 Receptor |
Bioorg Med Chem Lett 12: 2031-4 (2002)
BindingDB Entry DOI: 10.7270/Q2MK6G21 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50220396
(CHEMBL62527)Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)C(C)C)cc1 Show InChI InChI=1S/C23H36N2O3/c1-4-5-6-8-22(26)20-9-11-21(12-10-20)28-18-7-13-24-14-16-25(17-15-24)23(27)19(2)3/h9-12,19H,4-8,13-18H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for the human Histamine H1 Receptor |
Bioorg Med Chem Lett 12: 2031-4 (2002)
BindingDB Entry DOI: 10.7270/Q2MK6G21 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50220414
(CHEMBL60509)Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2cnco2)cc1 Show InChI InChI=1S/C23H31N3O4/c1-2-3-4-6-21(27)19-7-9-20(10-8-19)29-16-5-11-25-12-14-26(15-13-25)23(28)22-17-24-18-30-22/h7-10,17-18H,2-6,11-16H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for the human Histamine H1 Receptor |
Bioorg Med Chem Lett 12: 2031-4 (2002)
BindingDB Entry DOI: 10.7270/Q2MK6G21 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50220394
(CHEMBL294349)Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)C(C)(C)O)cc1 Show InChI InChI=1S/C23H36N2O4/c1-4-5-6-8-21(26)19-9-11-20(12-10-19)29-18-7-13-24-14-16-25(17-15-24)22(27)23(2,3)28/h9-12,28H,4-8,13-18H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for the human Histamine H1 Receptor |
Bioorg Med Chem Lett 12: 2031-4 (2002)
BindingDB Entry DOI: 10.7270/Q2MK6G21 |
More data for this
Ligand-Target Pair | |
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