Found 4 hits for monomerid = 50226716 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Adrenergic receptor beta
(Rattus norvegicus (Rat)) | BDBM50226716
(CHEMBL348176)Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]c(cc12)C#N |(2.48,-10.11,;2.5,-8.58,;2.48,-7.04,;4.04,-8.58,;4.82,-9.89,;4.04,-11.23,;6.35,-9.89,;7.12,-11.23,;.97,-8.58,;-.26,-7.82,;-2.36,-8.12,;-2.89,-6.42,;-4.43,-6.42,;-1.56,-7.19,;.41,-6.89,;-2.89,-4.88,;-4.23,-4.12,;-5.56,-4.91,;-6.9,-4.14,;-5.54,-6.44,;-6.88,-7.21,;-6.86,-8.76,;-8.2,-9.52,;-8.2,-11.06,;-6.86,-11.83,;-5.53,-11.06,;-4.19,-11.83,;-2.84,-11.03,;-2.86,-9.49,;-5.53,-9.52,;-1.46,-11.85,;-.07,-12.65,)| Show InChI InChI=1S/C24H33BrN4O3/c1-23(2,29-22(31)12-25)16-7-9-24(3,10-8-16)27-14-18(30)15-32-21-6-4-5-20-19(21)11-17(13-26)28-20/h4-6,11,16,18,27-28,30H,7-10,12,14-15H2,1-3H3,(H,29,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against beta adrenergic receptor from rat heart tissues was determined |
J Med Chem 30: 612-5 (1987)
BindingDB Entry DOI: 10.7270/Q2ZS2ZRF |
More data for this
Ligand-Target Pair | |
Adrenergic receptor beta
(Rattus norvegicus (Rat)) | BDBM50226716
(CHEMBL348176)Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]c(cc12)C#N |(2.48,-10.11,;2.5,-8.58,;2.48,-7.04,;4.04,-8.58,;4.82,-9.89,;4.04,-11.23,;6.35,-9.89,;7.12,-11.23,;.97,-8.58,;-.26,-7.82,;-2.36,-8.12,;-2.89,-6.42,;-4.43,-6.42,;-1.56,-7.19,;.41,-6.89,;-2.89,-4.88,;-4.23,-4.12,;-5.56,-4.91,;-6.9,-4.14,;-5.54,-6.44,;-6.88,-7.21,;-6.86,-8.76,;-8.2,-9.52,;-8.2,-11.06,;-6.86,-11.83,;-5.53,-11.06,;-4.19,-11.83,;-2.84,-11.03,;-2.86,-9.49,;-5.53,-9.52,;-1.46,-11.85,;-.07,-12.65,)| Show InChI InChI=1S/C24H33BrN4O3/c1-23(2,29-22(31)12-25)16-7-9-24(3,10-8-16)27-14-18(30)15-32-21-6-4-5-20-19(21)11-17(13-26)28-20/h4-6,11,16,18,27-28,30H,7-10,12,14-15H2,1-3H3,(H,29,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against beta adrenergic receptor from rat lung tissues was determined |
J Med Chem 30: 612-5 (1987)
BindingDB Entry DOI: 10.7270/Q2ZS2ZRF |
More data for this
Ligand-Target Pair | |
Adrenergic receptor beta
(Rattus norvegicus (Rat)) | BDBM50226716
(CHEMBL348176)Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]c(cc12)C#N |(2.48,-10.11,;2.5,-8.58,;2.48,-7.04,;4.04,-8.58,;4.82,-9.89,;4.04,-11.23,;6.35,-9.89,;7.12,-11.23,;.97,-8.58,;-.26,-7.82,;-2.36,-8.12,;-2.89,-6.42,;-4.43,-6.42,;-1.56,-7.19,;.41,-6.89,;-2.89,-4.88,;-4.23,-4.12,;-5.56,-4.91,;-6.9,-4.14,;-5.54,-6.44,;-6.88,-7.21,;-6.86,-8.76,;-8.2,-9.52,;-8.2,-11.06,;-6.86,-11.83,;-5.53,-11.06,;-4.19,-11.83,;-2.84,-11.03,;-2.86,-9.49,;-5.53,-9.52,;-1.46,-11.85,;-.07,-12.65,)| Show InChI InChI=1S/C24H33BrN4O3/c1-23(2,29-22(31)12-25)16-7-9-24(3,10-8-16)27-14-18(30)15-32-21-6-4-5-20-19(21)11-17(13-26)28-20/h4-6,11,16,18,27-28,30H,7-10,12,14-15H2,1-3H3,(H,29,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against the [3H]dihydroalprenolol binding to beta adrenergic receptor of rat heart reticulocytes pretreated with alkylating beta-blo... |
J Med Chem 30: 612-5 (1987)
BindingDB Entry DOI: 10.7270/Q2ZS2ZRF |
More data for this
Ligand-Target Pair | |
Adrenergic receptor beta
(Rattus norvegicus (Rat)) | BDBM50226716
(CHEMBL348176)Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]c(cc12)C#N |(2.48,-10.11,;2.5,-8.58,;2.48,-7.04,;4.04,-8.58,;4.82,-9.89,;4.04,-11.23,;6.35,-9.89,;7.12,-11.23,;.97,-8.58,;-.26,-7.82,;-2.36,-8.12,;-2.89,-6.42,;-4.43,-6.42,;-1.56,-7.19,;.41,-6.89,;-2.89,-4.88,;-4.23,-4.12,;-5.56,-4.91,;-6.9,-4.14,;-5.54,-6.44,;-6.88,-7.21,;-6.86,-8.76,;-8.2,-9.52,;-8.2,-11.06,;-6.86,-11.83,;-5.53,-11.06,;-4.19,-11.83,;-2.84,-11.03,;-2.86,-9.49,;-5.53,-9.52,;-1.46,-11.85,;-.07,-12.65,)| Show InChI InChI=1S/C24H33BrN4O3/c1-23(2,29-22(31)12-25)16-7-9-24(3,10-8-16)27-14-18(30)15-32-21-6-4-5-20-19(21)11-17(13-26)28-20/h4-6,11,16,18,27-28,30H,7-10,12,14-15H2,1-3H3,(H,29,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding to human erythrocyte carbonic anhydrase was determined by fluorescence competition assay employing the fluorescent CA inhibitor dans... |
J Med Chem 30: 612-5 (1987)
BindingDB Entry DOI: 10.7270/Q2ZS2ZRF |
More data for this
Ligand-Target Pair | |
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