Found 8 hits of Enzyme Inhibition Constant Data 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 |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50438565
(CHEMBL2413153)Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O Show InChI InChI=1S/C20H28FN5O3/c1-23-19(27)16-22-26(20(23)28)10-5-4-9-24-11-13-25(14-12-24)17-6-2-3-7-18(17)29-15-8-21/h2-3,6-7,16H,4-5,8-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description Binding affinity to dopamine 2 receptor (unknown origin) |
Bioorg Med Chem 21: 5598-604 (2013)
Article DOI: 10.1016/j.bmc.2013.05.050 BindingDB Entry DOI: 10.7270/Q2QZ2CDG |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM86757
(CAS_0 | NSC_11603174 | [11C]MMP)Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description Binding affinity to sigma 1 receptor (unknown origin) |
Bioorg Med Chem 21: 5598-604 (2013)
Article DOI: 10.1016/j.bmc.2013.05.050 BindingDB Entry DOI: 10.7270/Q2QZ2CDG |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50438565
(CHEMBL2413153)Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O Show InChI InChI=1S/C20H28FN5O3/c1-23-19(27)16-22-26(20(23)28)10-5-4-9-24-11-13-25(14-12-24)17-6-2-3-7-18(17)29-15-8-21/h2-3,6-7,16H,4-5,8-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 512 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description Binding affinity to histamine H1 receptor (unknown origin) |
Bioorg Med Chem 21: 5598-604 (2013)
Article DOI: 10.1016/j.bmc.2013.05.050 BindingDB Entry DOI: 10.7270/Q2QZ2CDG |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM86757
(CAS_0 | NSC_11603174 | [11C]MMP)Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description Binding affinity to histamine H1 receptor (unknown origin) |
Bioorg Med Chem 21: 5598-604 (2013)
Article DOI: 10.1016/j.bmc.2013.05.050 BindingDB Entry DOI: 10.7270/Q2QZ2CDG |
More data for this Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50438565
(CHEMBL2413153)Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O Show InChI InChI=1S/C20H28FN5O3/c1-23-19(27)16-22-26(20(23)28)10-5-4-9-24-11-13-25(14-12-24)17-6-2-3-7-18(17)29-15-8-21/h2-3,6-7,16H,4-5,8-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description Binding affinity to histamine H2 receptor (unknown origin) |
Bioorg Med Chem 21: 5598-604 (2013)
Article DOI: 10.1016/j.bmc.2013.05.050 BindingDB Entry DOI: 10.7270/Q2QZ2CDG |
More data for this Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM86757
(CAS_0 | NSC_11603174 | [11C]MMP)Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description Binding affinity to histamine H2 receptor (unknown origin) |
Bioorg Med Chem 21: 5598-604 (2013)
Article DOI: 10.1016/j.bmc.2013.05.050 BindingDB Entry DOI: 10.7270/Q2QZ2CDG |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50438565
(CHEMBL2413153)Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O Show InChI InChI=1S/C20H28FN5O3/c1-23-19(27)16-22-26(20(23)28)10-5-4-9-24-11-13-25(14-12-24)17-6-2-3-7-18(17)29-15-8-21/h2-3,6-7,16H,4-5,8-15H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description Binding affinity to sigma 1 receptor (unknown origin) |
Bioorg Med Chem 21: 5598-604 (2013)
Article DOI: 10.1016/j.bmc.2013.05.050 BindingDB Entry DOI: 10.7270/Q2QZ2CDG |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM86757
(CAS_0 | NSC_11603174 | [11C]MMP)Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description Binding affinity to dopamine 2 receptor (unknown origin) |
Bioorg Med Chem 21: 5598-604 (2013)
Article DOI: 10.1016/j.bmc.2013.05.050 BindingDB Entry DOI: 10.7270/Q2QZ2CDG |
More data for this Ligand-Target Pair | |