Found 16 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 |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50325822
(CHEMBL1224527 | trans-(5R)-5-phenyl-1,2,3,4,4a,5,6...)Show SMILES Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r| Show InChI InChI=1S/C19H21NO2/c21-18-7-6-13-16(19(18)22)10-15(12-4-2-1-3-5-12)14-8-9-20-11-17(13)14/h1-7,14-15,17,20-22H,8-11H2/t14-,15-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Binding affinity to adrenergic Alpha-2C receptor |
Bioorg Med Chem 18: 6763-70 (2010)
Article DOI: 10.1016/j.bmc.2010.07.052 BindingDB Entry DOI: 10.7270/Q29K4BFR |
More data for this Ligand-Target Pair | |
D(1B) dopamine receptor
(Homo sapiens (Human)) | BDBM50325822
(CHEMBL1224527 | trans-(5R)-5-phenyl-1,2,3,4,4a,5,6...)Show SMILES Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r| Show InChI InChI=1S/C19H21NO2/c21-18-7-6-13-16(19(18)22)10-15(12-4-2-1-3-5-12)14-8-9-20-11-17(13)14/h1-7,14-15,17,20-22H,8-11H2/t14-,15-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Binding affinity to dopamine D5 receptor |
Bioorg Med Chem 18: 6763-70 (2010)
Article DOI: 10.1016/j.bmc.2010.07.052 BindingDB Entry DOI: 10.7270/Q29K4BFR |
More data for this Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50325822
(CHEMBL1224527 | trans-(5R)-5-phenyl-1,2,3,4,4a,5,6...)Show SMILES Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r| Show InChI InChI=1S/C19H21NO2/c21-18-7-6-13-16(19(18)22)10-15(12-4-2-1-3-5-12)14-8-9-20-11-17(13)14/h1-7,14-15,17,20-22H,8-11H2/t14-,15-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Binding affinity to adrenergic alpha2A receptor |
Bioorg Med Chem 18: 6763-70 (2010)
Article DOI: 10.1016/j.bmc.2010.07.052 BindingDB Entry DOI: 10.7270/Q29K4BFR |
More data for this Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM50325822
(CHEMBL1224527 | trans-(5R)-5-phenyl-1,2,3,4,4a,5,6...)Show SMILES Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r| Show InChI InChI=1S/C19H21NO2/c21-18-7-6-13-16(19(18)22)10-15(12-4-2-1-3-5-12)14-8-9-20-11-17(13)14/h1-7,14-15,17,20-22H,8-11H2/t14-,15-,17-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Binding affinity to adrenergic alpha2B receptor |
Bioorg Med Chem 18: 6763-70 (2010)
Article DOI: 10.1016/j.bmc.2010.07.052 BindingDB Entry DOI: 10.7270/Q29K4BFR |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50325822
(CHEMBL1224527 | trans-(5R)-5-phenyl-1,2,3,4,4a,5,6...)Show SMILES Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r| Show InChI InChI=1S/C19H21NO2/c21-18-7-6-13-16(19(18)22)10-15(12-4-2-1-3-5-12)14-8-9-20-11-17(13)14/h1-7,14-15,17,20-22H,8-11H2/t14-,15-,17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Binding affinity to dopamine D1 receptor |
Bioorg Med Chem 18: 6763-70 (2010)
Article DOI: 10.1016/j.bmc.2010.07.052 BindingDB Entry DOI: 10.7270/Q29K4BFR |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50325822
(CHEMBL1224527 | trans-(5R)-5-phenyl-1,2,3,4,4a,5,6...)Show SMILES Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r| Show InChI InChI=1S/C19H21NO2/c21-18-7-6-13-16(19(18)22)10-15(12-4-2-1-3-5-12)14-8-9-20-11-17(13)14/h1-7,14-15,17,20-22H,8-11H2/t14-,15-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Binding affinity to dopamine D3 receptor |
Bioorg Med Chem 18: 6763-70 (2010)
Article DOI: 10.1016/j.bmc.2010.07.052 BindingDB Entry DOI: 10.7270/Q29K4BFR |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50325822
(CHEMBL1224527 | trans-(5R)-5-phenyl-1,2,3,4,4a,5,6...)Show SMILES Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r| Show InChI InChI=1S/C19H21NO2/c21-18-7-6-13-16(19(18)22)10-15(12-4-2-1-3-5-12)14-8-9-20-11-17(13)14/h1-7,14-15,17,20-22H,8-11H2/t14-,15-,17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Binding affinity to 5HT7 receptor |
Bioorg Med Chem 18: 6763-70 (2010)
Article DOI: 10.1016/j.bmc.2010.07.052 BindingDB Entry DOI: 10.7270/Q29K4BFR |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50325822
(CHEMBL1224527 | trans-(5R)-5-phenyl-1,2,3,4,4a,5,6...)Show SMILES Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r| Show InChI InChI=1S/C19H21NO2/c21-18-7-6-13-16(19(18)22)10-15(12-4-2-1-3-5-12)14-8-9-20-11-17(13)14/h1-7,14-15,17,20-22H,8-11H2/t14-,15-,17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Binding affinity to adrenergic alpha1A receptor |
Bioorg Med Chem 18: 6763-70 (2010)
Article DOI: 10.1016/j.bmc.2010.07.052 BindingDB Entry DOI: 10.7270/Q29K4BFR |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50325822
(CHEMBL1224527 | trans-(5R)-5-phenyl-1,2,3,4,4a,5,6...)Show SMILES Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r| Show InChI InChI=1S/C19H21NO2/c21-18-7-6-13-16(19(18)22)10-15(12-4-2-1-3-5-12)14-8-9-20-11-17(13)14/h1-7,14-15,17,20-22H,8-11H2/t14-,15-,17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Binding affinity to dopamine D2 receptor |
Bioorg Med Chem 18: 6763-70 (2010)
Article DOI: 10.1016/j.bmc.2010.07.052 BindingDB Entry DOI: 10.7270/Q29K4BFR |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50325822
(CHEMBL1224527 | trans-(5R)-5-phenyl-1,2,3,4,4a,5,6...)Show SMILES Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r| Show InChI InChI=1S/C19H21NO2/c21-18-7-6-13-16(19(18)22)10-15(12-4-2-1-3-5-12)14-8-9-20-11-17(13)14/h1-7,14-15,17,20-22H,8-11H2/t14-,15-,17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Binding affinity to adrenergic kappa opioid receptor |
Bioorg Med Chem 18: 6763-70 (2010)
Article DOI: 10.1016/j.bmc.2010.07.052 BindingDB Entry DOI: 10.7270/Q29K4BFR |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50325822
(CHEMBL1224527 | trans-(5R)-5-phenyl-1,2,3,4,4a,5,6...)Show SMILES Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r| Show InChI InChI=1S/C19H21NO2/c21-18-7-6-13-16(19(18)22)10-15(12-4-2-1-3-5-12)14-8-9-20-11-17(13)14/h1-7,14-15,17,20-22H,8-11H2/t14-,15-,17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Binding affinity to 5HT3 receptor |
Bioorg Med Chem 18: 6763-70 (2010)
Article DOI: 10.1016/j.bmc.2010.07.052 BindingDB Entry DOI: 10.7270/Q29K4BFR |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50325822
(CHEMBL1224527 | trans-(5R)-5-phenyl-1,2,3,4,4a,5,6...)Show SMILES Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r| Show InChI InChI=1S/C19H21NO2/c21-18-7-6-13-16(19(18)22)10-15(12-4-2-1-3-5-12)14-8-9-20-11-17(13)14/h1-7,14-15,17,20-22H,8-11H2/t14-,15-,17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.65E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Binding affinity to dopamine D4 receptor |
Bioorg Med Chem 18: 6763-70 (2010)
Article DOI: 10.1016/j.bmc.2010.07.052 BindingDB Entry DOI: 10.7270/Q29K4BFR |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50325821
((6aR,12bR)-6a,7,8,12b-tetrahydro-6H-chromeno[3,4-c...)Show InChI InChI=1S/C16H15NO3/c18-13-5-11-15(6-14(13)19)20-8-12-16(11)10-4-2-1-3-9(10)7-17-12/h1-6,12,16-19H,7-8H2/t12-,16+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 4.30 | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Agonist activity at human D1 receptor assessed as cAMP accumulation |
Bioorg Med Chem 18: 6763-70 (2010)
Article DOI: 10.1016/j.bmc.2010.07.052 BindingDB Entry DOI: 10.7270/Q29K4BFR |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50325822
(CHEMBL1224527 | trans-(5R)-5-phenyl-1,2,3,4,4a,5,6...)Show SMILES Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r| Show InChI InChI=1S/C19H21NO2/c21-18-7-6-13-16(19(18)22)10-15(12-4-2-1-3-5-12)14-8-9-20-11-17(13)14/h1-7,14-15,17,20-22H,8-11H2/t14-,15-,17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.640 | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Agonist activity at human D1 receptor assessed as cAMP accumulation |
Bioorg Med Chem 18: 6763-70 (2010)
Article DOI: 10.1016/j.bmc.2010.07.052 BindingDB Entry DOI: 10.7270/Q29K4BFR |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM55121
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Agonist activity at human D1 receptor assessed as cAMP accumulation |
Bioorg Med Chem 18: 6763-70 (2010)
Article DOI: 10.1016/j.bmc.2010.07.052 BindingDB Entry DOI: 10.7270/Q29K4BFR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50325820
(CHEMBL1224528 | dihydroxidine)Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.90 | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Agonist activity at human D1 receptor assessed as cAMP accumulation |
Bioorg Med Chem 18: 6763-70 (2010)
Article DOI: 10.1016/j.bmc.2010.07.052 BindingDB Entry DOI: 10.7270/Q29K4BFR |
More data for this Ligand-Target Pair | |