Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50006122 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 |
|---|
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50497048
(CHEMBL3246767)Show InChI InChI=1S/C17H25NO2/c1-17(2,3)18-11-14(19)12-20-16-10-6-8-13-7-4-5-9-15(13)16/h4-6,8,10,14,18-19H,7,9,11-12H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.00130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of beta-adrenergic receptor in rat portal vein |
J Med Chem 21: 913-22 (1978)
Article DOI: 10.1021/jm00207a014
BindingDB Entry DOI: 10.7270/Q2N300Z3 |
More data for this
Ligand-Target Pair | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50497052
(CHEMBL3246792)Show SMILES CC(C)(Cc1ccccc1)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 |r| Show InChI InChI=1S/C23H31NO4/c1-23(2,13-16-7-4-3-5-8-16)24-14-18(25)15-28-22-10-6-9-17-11-20(26)21(27)12-19(17)22/h3-10,18,20-21,24-27H,11-15H2,1-2H3/t18?,20-,21+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0450 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of beta-adrenergic receptor in rat portal vein |
J Med Chem 21: 913-22 (1978)
Article DOI: 10.1021/jm00207a014
BindingDB Entry DOI: 10.7270/Q2N300Z3 |
More data for this
Ligand-Target Pair | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50497050
(CHEMBL3244454)Show SMILES Cl.CO[C@H]1Cc2cccc(OCC(O)CNC(C)(C)C)c2C[C@H]1OC |r| Show InChI InChI=1S/C19H31NO4.ClH/c1-19(2,3)20-11-14(21)12-24-16-8-6-7-13-9-17(22-4)18(23-5)10-15(13)16;/h6-8,14,17-18,20-21H,9-12H2,1-5H3;1H/t14?,17-,18+;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0510 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of beta-adrenergic receptor in rat portal vein |
J Med Chem 21: 913-22 (1978)
Article DOI: 10.1021/jm00207a014
BindingDB Entry DOI: 10.7270/Q2N300Z3 |
More data for this
Ligand-Target Pair | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50497051
(CHEMBL3246789)Show SMILES CCCCNCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 |r| Show InChI InChI=1S/C17H27NO4/c1-2-3-7-18-10-13(19)11-22-17-6-4-5-12-8-15(20)16(21)9-14(12)17/h4-6,13,15-16,18-21H,2-3,7-11H2,1H3/t13?,15-,16+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of beta-adrenergic receptor in rat portal vein |
J Med Chem 21: 913-22 (1978)
Article DOI: 10.1021/jm00207a014
BindingDB Entry DOI: 10.7270/Q2N300Z3 |
More data for this
Ligand-Target Pair | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50497049
(CHEMBL3246801)Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3C[C@@H](O)[C@@H](O)Cc23)CC1 |r| Show InChI InChI=1S/C24H32N2O5/c1-30-24-7-3-2-6-20(24)26-11-9-25(10-12-26)15-18(27)16-31-23-8-4-5-17-13-21(28)22(29)14-19(17)23/h2-8,18,21-22,27-29H,9-16H2,1H3/t18?,21-,22+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of beta-adrenergic receptor in rat portal vein |
J Med Chem 21: 913-22 (1978)
Article DOI: 10.1021/jm00207a014
BindingDB Entry DOI: 10.7270/Q2N300Z3 |
More data for this
Ligand-Target Pair | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50497054
(CHEMBL3246790)Show SMILES CC(C)(C)CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 |r| Show InChI InChI=1S/C21H35NO4/c1-20(2,3)13-21(4,5)22-11-15(23)12-26-19-8-6-7-14-9-17(24)18(25)10-16(14)19/h6-8,15,17-18,22-25H,9-13H2,1-5H3/t15?,17-,18+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of beta-adrenergic receptor in rat portal vein |
J Med Chem 21: 913-22 (1978)
Article DOI: 10.1021/jm00207a014
BindingDB Entry DOI: 10.7270/Q2N300Z3 |
More data for this
Ligand-Target Pair | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50497053
(CHEMBL3246795)Show SMILES COc1cc(CC=C)ccc1OCCNCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 |r| Show InChI InChI=1S/C25H33NO6/c1-3-5-17-8-9-24(25(12-17)30-2)31-11-10-26-15-19(27)16-32-23-7-4-6-18-13-21(28)22(29)14-20(18)23/h3-4,6-9,12,19,21-22,26-29H,1,5,10-11,13-16H2,2H3/t19?,21-,22+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of beta-adrenergic receptor in rat portal vein |
J Med Chem 21: 913-22 (1978)
Article DOI: 10.1021/jm00207a014
BindingDB Entry DOI: 10.7270/Q2N300Z3 |
More data for this
Ligand-Target Pair | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50497047
(CHEMBL3246800)Show SMILES CC(C)(C)N(CCNCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12)Cc1ccccc1 |r| Show InChI InChI=1S/C26H38N2O4/c1-26(2,3)28(17-19-8-5-4-6-9-19)13-12-27-16-21(29)18-32-25-11-7-10-20-14-23(30)24(31)15-22(20)25/h4-11,21,23-24,27,29-31H,12-18H2,1-3H3/t21?,23-,24+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of beta-adrenergic receptor in rat portal vein |
J Med Chem 21: 913-22 (1978)
Article DOI: 10.1021/jm00207a014
BindingDB Entry DOI: 10.7270/Q2N300Z3 |
More data for this
Ligand-Target Pair | |
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