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3 similar compounds to monomer 50213344

Compile data set for download or QSAR
Wt: 306.1
BDBM50213345
Wt: 470.6
BDBM50213353
Wt: 468.6
BDBM50213354

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50213345,50213353,50213354   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50213353
PNG
(CHEMBL308295)
Show SMILES CCCN(CCCCCCN1CCC[C@@H]1Cc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1
Show InChI InChI=1S/C28H42N2O4/c1-2-14-29(18-13-22-9-11-25(31)27(33)20-22)15-5-3-4-6-16-30-17-7-8-24(30)19-23-10-12-26(32)28(34)21-23/h9-12,20-21,24,31-34H,2-8,13-19H2,1H3/t24-/m1/s1
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3.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against Dopamine receptor D2 in rat striatal membranes using [3H]spiperone


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50213354
PNG
(CHEMBL80974)
Show SMILES Oc1ccc(C[C@H]2CCCN2CCCCCCN2CCC[C@H]2Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C28H40N2O4/c31-25-11-9-21(19-27(25)33)17-23-7-5-15-29(23)13-3-1-2-4-14-30-16-6-8-24(30)18-22-10-12-26(32)28(34)20-22/h9-12,19-20,23-24,31-34H,1-8,13-18H2/t23-,24+
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8.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against Dopamine receptor D2 in rat striatal membranes using [3H]spiperone


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptors; D1 & D2


(RAT)
BDBM50213353
PNG
(CHEMBL308295)
Show SMILES CCCN(CCCCCCN1CCC[C@@H]1Cc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1
Show InChI InChI=1S/C28H42N2O4/c1-2-14-29(18-13-22-9-11-25(31)27(33)20-22)15-5-3-4-6-16-30-17-7-8-24(30)19-23-10-12-26(32)28(34)21-23/h9-12,20-21,24,31-34H,2-8,13-19H2,1H3/t24-/m1/s1
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19n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against Dopamine receptor D1 in rat striatal membranes using [3H]SCH-23390


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50213353
PNG
(CHEMBL308295)
Show SMILES CCCN(CCCCCCN1CCC[C@@H]1Cc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1
Show InChI InChI=1S/C28H42N2O4/c1-2-14-29(18-13-22-9-11-25(31)27(33)20-22)15-5-3-4-6-16-30-17-7-8-24(30)19-23-10-12-26(32)28(34)21-23/h9-12,20-21,24,31-34H,2-8,13-19H2,1H3/t24-/m1/s1
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302n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for its binding affinity against Alpha-2 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50213353
PNG
(CHEMBL308295)
Show SMILES CCCN(CCCCCCN1CCC[C@@H]1Cc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1
Show InChI InChI=1S/C28H42N2O4/c1-2-14-29(18-13-22-9-11-25(31)27(33)20-22)15-5-3-4-6-16-30-17-7-8-24(30)19-23-10-12-26(32)28(34)21-23/h9-12,20-21,24,31-34H,2-8,13-19H2,1H3/t24-/m1/s1
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389n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for its binding affinity against Alpha-1 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptors; D1 & D2


(RAT)
BDBM50213354
PNG
(CHEMBL80974)
Show SMILES Oc1ccc(C[C@H]2CCCN2CCCCCCN2CCC[C@H]2Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C28H40N2O4/c31-25-11-9-21(19-27(25)33)17-23-7-5-15-29(23)13-3-1-2-4-14-30-16-6-8-24(30)18-22-10-12-26(32)28(34)20-22/h9-12,19-20,23-24,31-34H,1-8,13-18H2/t23-,24+
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575n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against Dopamine receptor D1 in rat striatal membranes using [3H]SCH-23390


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50213354
PNG
(CHEMBL80974)
Show SMILES Oc1ccc(C[C@H]2CCCN2CCCCCCN2CCC[C@H]2Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C28H40N2O4/c31-25-11-9-21(19-27(25)33)17-23-7-5-15-29(23)13-3-1-2-4-14-30-16-6-8-24(30)18-22-10-12-26(32)28(34)20-22/h9-12,19-20,23-24,31-34H,1-8,13-18H2/t23-,24+
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575n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for its binding affinity against Alpha-1 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50213345
PNG
(CHEMBL72995)
Show SMILES CC1CN=C(Nc2ccc3nccnc3c2Br)N1
Show InChI InChI=1S/C12H12BrN5/c1-7-6-16-12(17-7)18-8-2-3-9-11(10(8)13)15-5-4-14-9/h2-5,7H,6H2,1H3,(H2,16,17,18)
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646n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for human Alpha-2C adrenergic receptor from cultured LM(tk-) cells using [3H]- prazosin


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50213354
PNG
(CHEMBL80974)
Show SMILES Oc1ccc(C[C@H]2CCCN2CCCCCCN2CCC[C@H]2Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C28H40N2O4/c31-25-11-9-21(19-27(25)33)17-23-7-5-15-29(23)13-3-1-2-4-14-30-16-6-8-24(30)18-22-10-12-26(32)28(34)20-22/h9-12,19-20,23-24,31-34H,1-8,13-18H2/t23-,24+
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933n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for its binding affinity against Alpha-2 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50213345
PNG
(CHEMBL72995)
Show SMILES CC1CN=C(Nc2ccc3nccnc3c2Br)N1
Show InChI InChI=1S/C12H12BrN5/c1-7-6-16-12(17-7)18-8-2-3-9-11(10(8)13)15-5-4-14-9/h2-5,7H,6H2,1H3,(H2,16,17,18)
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3.24E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for human Alpha-2B adrenergic receptor from cultured Y-1 cells using [3H]rauwolscine


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50213345
PNG
(CHEMBL72995)
Show SMILES CC1CN=C(Nc2ccc3nccnc3c2Br)N1
Show InChI InChI=1S/C12H12BrN5/c1-7-6-16-12(17-7)18-8-2-3-9-11(10(8)13)15-5-4-14-9/h2-5,7H,6H2,1H3,(H2,16,17,18)
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3.80E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for human Alpha-2A adrenergic receptor from cultured LM(tk-) cells using [3H]rauwolscine


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50213345
PNG
(CHEMBL72995)
Show SMILES CC1CN=C(Nc2ccc3nccnc3c2Br)N1
Show InChI InChI=1S/C12H12BrN5/c1-7-6-16-12(17-7)18-8-2-3-9-11(10(8)13)15-5-4-14-9/h2-5,7H,6H2,1H3,(H2,16,17,18)
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<1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for human Alpha-1B adrenergic receptor from cultured LM(tk-) cells using [3H]prazosin


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50213345
PNG
(CHEMBL72995)
Show SMILES CC1CN=C(Nc2ccc3nccnc3c2Br)N1
Show InChI InChI=1S/C12H12BrN5/c1-7-6-16-12(17-7)18-8-2-3-9-11(10(8)13)15-5-4-14-9/h2-5,7H,6H2,1H3,(H2,16,17,18)
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<1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for human Alpha-1A adrenergic receptor from cultured LM(tk-) cells using [3H]-prazosin


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50213345
PNG
(CHEMBL72995)
Show SMILES CC1CN=C(Nc2ccc3nccnc3c2Br)N1
Show InChI InChI=1S/C12H12BrN5/c1-7-6-16-12(17-7)18-8-2-3-9-11(10(8)13)15-5-4-14-9/h2-5,7H,6H2,1H3,(H2,16,17,18)
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n/an/an/an/a 832n/an/an/an/a


TBA

Assay Description
Alpha-2C adrenergic receptor agonistic potency as inhibition of forskolin-stimulated cyclic adenosine monophosphate synthesis


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Ligand-Target Pair