Found 4 hits for monomerid = 50226719 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)) | BDBM50226719
(CHEMBL156754)Show SMILES CC(C)(NCC(O)COc1cccc2[nH]c(cc12)C#N)C1CCC(C)(CC1)NC(=O)CBr |(-2.34,-8.06,;-2.31,-6.5,;-1.55,-5.13,;-3.88,-6.5,;-5.18,-5.75,;-6.49,-6.5,;-7.79,-5.75,;-6.48,-8,;-7.78,-8.75,;-7.78,-10.27,;-9.06,-11.02,;-9.06,-12.53,;-7.78,-13.28,;-6.48,-12.53,;-5.15,-13.27,;-3.84,-12.5,;-3.85,-11,;-6.48,-11.02,;-2.48,-13.28,;-1.13,-14.06,;-.75,-6.5,;.43,-6.07,;2.16,-6.69,;2.95,-5.35,;4.51,-5.35,;1.66,-5.77,;.01,-5.13,;3.36,-3.83,;4.87,-3.43,;5.97,-4.54,;5.28,-1.93,;6.79,-1.53,)| Show InChI InChI=1S/C24H33BrN4O3/c1-23(2,16-7-9-24(3,10-8-16)29-22(31)12-25)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
| 1.80 | 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)) | BDBM50226719
(CHEMBL156754)Show SMILES CC(C)(NCC(O)COc1cccc2[nH]c(cc12)C#N)C1CCC(C)(CC1)NC(=O)CBr |(-2.34,-8.06,;-2.31,-6.5,;-1.55,-5.13,;-3.88,-6.5,;-5.18,-5.75,;-6.49,-6.5,;-7.79,-5.75,;-6.48,-8,;-7.78,-8.75,;-7.78,-10.27,;-9.06,-11.02,;-9.06,-12.53,;-7.78,-13.28,;-6.48,-12.53,;-5.15,-13.27,;-3.84,-12.5,;-3.85,-11,;-6.48,-11.02,;-2.48,-13.28,;-1.13,-14.06,;-.75,-6.5,;.43,-6.07,;2.16,-6.69,;2.95,-5.35,;4.51,-5.35,;1.66,-5.77,;.01,-5.13,;3.36,-3.83,;4.87,-3.43,;5.97,-4.54,;5.28,-1.93,;6.79,-1.53,)| Show InChI InChI=1S/C24H33BrN4O3/c1-23(2,16-7-9-24(3,10-8-16)29-22(31)12-25)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
| 2.80 | 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)) | BDBM50226719
(CHEMBL156754)Show SMILES CC(C)(NCC(O)COc1cccc2[nH]c(cc12)C#N)C1CCC(C)(CC1)NC(=O)CBr |(-2.34,-8.06,;-2.31,-6.5,;-1.55,-5.13,;-3.88,-6.5,;-5.18,-5.75,;-6.49,-6.5,;-7.79,-5.75,;-6.48,-8,;-7.78,-8.75,;-7.78,-10.27,;-9.06,-11.02,;-9.06,-12.53,;-7.78,-13.28,;-6.48,-12.53,;-5.15,-13.27,;-3.84,-12.5,;-3.85,-11,;-6.48,-11.02,;-2.48,-13.28,;-1.13,-14.06,;-.75,-6.5,;.43,-6.07,;2.16,-6.69,;2.95,-5.35,;4.51,-5.35,;1.66,-5.77,;.01,-5.13,;3.36,-3.83,;4.87,-3.43,;5.97,-4.54,;5.28,-1.93,;6.79,-1.53,)| Show InChI InChI=1S/C24H33BrN4O3/c1-23(2,16-7-9-24(3,10-8-16)29-22(31)12-25)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
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.) |
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)) | BDBM50226719
(CHEMBL156754)Show SMILES CC(C)(NCC(O)COc1cccc2[nH]c(cc12)C#N)C1CCC(C)(CC1)NC(=O)CBr |(-2.34,-8.06,;-2.31,-6.5,;-1.55,-5.13,;-3.88,-6.5,;-5.18,-5.75,;-6.49,-6.5,;-7.79,-5.75,;-6.48,-8,;-7.78,-8.75,;-7.78,-10.27,;-9.06,-11.02,;-9.06,-12.53,;-7.78,-13.28,;-6.48,-12.53,;-5.15,-13.27,;-3.84,-12.5,;-3.85,-11,;-6.48,-11.02,;-2.48,-13.28,;-1.13,-14.06,;-.75,-6.5,;.43,-6.07,;2.16,-6.69,;2.95,-5.35,;4.51,-5.35,;1.66,-5.77,;.01,-5.13,;3.36,-3.83,;4.87,-3.43,;5.97,-4.54,;5.28,-1.93,;6.79,-1.53,)| Show InChI InChI=1S/C24H33BrN4O3/c1-23(2,16-7-9-24(3,10-8-16)29-22(31)12-25)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 | 1.20 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.) |
J Med Chem 30: 612-5 (1987)
BindingDB Entry DOI: 10.7270/Q2ZS2ZRF |
More data for this
Ligand-Target Pair | |
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