Found 4 hits with Last Name = 'ebinger' and Initial = 'k' 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-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50545275
(CHEMBL4645677)Show SMILES Fc1ccc(N2CCN(Cc3ccc(COc4cccc5C(=O)N(Cc45)C4CCC(=O)NC4=O)cc3)CC2)c(F)c1 Show InChI InChI=1S/C31H30F2N4O4/c32-22-8-9-26(25(33)16-22)36-14-12-35(13-15-36)17-20-4-6-21(7-5-20)19-41-28-3-1-2-23-24(28)18-37(31(23)40)27-10-11-29(38)34-30(27)39/h1-9,16,27H,10-15,17-19H2,(H,34,38,39) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description Inhibition of adrenergic receptor alpha1 (unknown origin) |
J Med Chem 63: 6648-6676 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01928 BindingDB Entry DOI: 10.7270/Q2KS6W4N |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50545276
(CHEMBL4637801)Show SMILES Fc1cc(ccc1N1CCN(Cc2ccc(COc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)cc2)CC1)C#N Show InChI InChI=1S/C32H30FN5O4/c33-26-16-23(17-34)8-9-27(26)37-14-12-36(13-15-37)18-21-4-6-22(7-5-21)20-42-29-3-1-2-24-25(29)19-38(32(24)41)28-10-11-30(39)35-31(28)40/h1-9,16,28H,10-15,18-20H2,(H,35,39,40) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description Inhibition of adrenergic receptor alpha1 (unknown origin) |
J Med Chem 63: 6648-6676 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01928 BindingDB Entry DOI: 10.7270/Q2KS6W4N |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50545275
(CHEMBL4645677)Show SMILES Fc1ccc(N2CCN(Cc3ccc(COc4cccc5C(=O)N(Cc45)C4CCC(=O)NC4=O)cc3)CC2)c(F)c1 Show InChI InChI=1S/C31H30F2N4O4/c32-22-8-9-26(25(33)16-22)36-14-12-35(13-15-36)17-20-4-6-21(7-5-20)19-41-28-3-1-2-23-24(28)18-37(31(23)40)27-10-11-29(38)34-30(27)39/h1-9,16,27H,10-15,17-19H2,(H,34,38,39) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description Agonist activity at D2S (unknown origin) |
J Med Chem 63: 6648-6676 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01928 BindingDB Entry DOI: 10.7270/Q2KS6W4N |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50545276
(CHEMBL4637801)Show SMILES Fc1cc(ccc1N1CCN(Cc2ccc(COc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)cc2)CC1)C#N Show InChI InChI=1S/C32H30FN5O4/c33-26-16-23(17-34)8-9-27(26)37-14-12-36(13-15-37)18-21-4-6-22(7-5-21)20-42-29-3-1-2-24-25(29)19-38(32(24)41)28-10-11-30(39)35-31(28)40/h1-9,16,28H,10-15,18-20H2,(H,35,39,40) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description Agonist activity at D2S (unknown origin) |
J Med Chem 63: 6648-6676 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01928 BindingDB Entry DOI: 10.7270/Q2KS6W4N |
More data for this Ligand-Target Pair | |