Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50048533 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 H2 receptor
(Homo sapiens (Human)) | BDBM50217409
(CHEMBL105385)Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C22H27ClN2O3/c1-2-27-22(26)25-15-13-24(14-16-25)12-3-17-28-21-10-6-19(7-11-21)18-4-8-20(23)9-5-18/h4-11H,2-3,12-17H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.62E+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 at human cortical Histamine 2 receptor |
Bioorg Med Chem Lett 12: 3077-9 (2002)
BindingDB Entry DOI: 10.7270/Q2ZW1P38 |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50217096
(CHEMBL105267)Show SMILES N[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 Show InChI InChI=1S/C20H23N3O/c21-14-16-2-4-17(5-3-16)18-6-8-20(9-7-18)24-13-1-11-23-12-10-19(22)15-23/h2-9,19H,1,10-13,15,22H2/t19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.41E+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 at human cortical Histamine 2 receptor |
Bioorg Med Chem Lett 12: 3077-9 (2002)
BindingDB Entry DOI: 10.7270/Q2ZW1P38 |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50217113
(CHEMBL105952)Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccccc2[N+]([O-])=O)CC1 Show InChI InChI=1S/C22H27N3O5/c1-2-29-22(26)24-15-13-23(14-16-24)12-5-17-30-19-10-8-18(9-11-19)20-6-3-4-7-21(20)25(27)28/h3-4,6-11H,2,5,12-17H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.59E+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 at human cortical Histamine 2 receptor |
Bioorg Med Chem Lett 12: 3077-9 (2002)
BindingDB Entry DOI: 10.7270/Q2ZW1P38 |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50217500
(CHEMBL318320)Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)[N+]([O-])=O)CC1 Show InChI InChI=1S/C22H27N3O5/c1-2-29-22(26)24-15-13-23(14-16-24)12-3-17-30-21-10-6-19(7-11-21)18-4-8-20(9-5-18)25(27)28/h4-11H,2-3,12-17H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 8.32E+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 at human cortical Histamine 2 receptor |
Bioorg Med Chem Lett 12: 3077-9 (2002)
BindingDB Entry DOI: 10.7270/Q2ZW1P38 |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50217103
(CHEMBL104669)Show SMILES O[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 Show InChI InChI=1S/C20H22N2O2/c21-14-16-2-4-17(5-3-16)18-6-8-20(9-7-18)24-13-1-11-22-12-10-19(23)15-22/h2-9,19,23H,1,10-13,15H2/t19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.70E+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 at human cortical Histamine 2 receptor |
Bioorg Med Chem Lett 12: 3077-9 (2002)
BindingDB Entry DOI: 10.7270/Q2ZW1P38 |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50217102
(CHEMBL318801)Show InChI InChI=1S/C20H22N2O2/c21-14-16-2-4-17(5-3-16)18-6-8-20(9-7-18)24-13-1-11-22-12-10-19(23)15-22/h2-9,19,23H,1,10-13,15H2/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.91E+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 at human cortical Histamine 2 receptor |
Bioorg Med Chem Lett 12: 3077-9 (2002)
BindingDB Entry DOI: 10.7270/Q2ZW1P38 |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50217487
(CHEMBL105268)Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2cccc(c2)C#N)CC1 Show InChI InChI=1S/C23H27N3O3/c1-2-28-23(27)26-14-12-25(13-15-26)11-4-16-29-22-9-7-20(8-10-22)21-6-3-5-19(17-21)18-24/h3,5-10,17H,2,4,11-16H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.40E+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 at human cortical Histamine 2 receptor |
Bioorg Med Chem Lett 12: 3077-9 (2002)
BindingDB Entry DOI: 10.7270/Q2ZW1P38 |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50217417
(CHEMBL102452)Show InChI InChI=1S/C21H25N3O/c22-16-17-2-4-18(5-3-17)19-6-8-21(9-7-19)25-15-1-12-24-13-10-20(23)11-14-24/h2-9,20H,1,10-15,23H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.39E+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 at human cortical Histamine 2 receptor |
Bioorg Med Chem Lett 12: 3077-9 (2002)
BindingDB Entry DOI: 10.7270/Q2ZW1P38 |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50217101
(CHEMBL25688)Show InChI InChI=1S/C20H22N2O/c21-16-17-4-6-18(7-5-17)19-8-10-20(11-9-19)23-15-3-14-22-12-1-2-13-22/h4-11H,1-3,12-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.76E+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 at human cortical Histamine 2 receptor |
Bioorg Med Chem Lett 12: 3077-9 (2002)
BindingDB Entry DOI: 10.7270/Q2ZW1P38 |
More data for this
Ligand-Target Pair | |
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