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BDBM50052880 CHEMBL49137::Imidazolidin-2-ylidene-(5-methyl-quinoxalin-6-yl)-amine

SMILES: [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1

InChI Key: InChIKey=QZUXRMOPAGPTIY-UHFFFAOYSA-N

Data: 14 KI  4 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50052880   
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
Adrenergic receptor alpha-2


(Homo sapiens-Homo sapiens (Human))
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES Cc1c(ccc2nccnc12)N=C1NCCN1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
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1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for Alpha-2 adrenergic receptor of CHO-C10 membrane preparation


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens-Homo sapiens (Human))
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES Cc1c(ccc2nccnc12)N=C1NCCN1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
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1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Alpha-2 adrenergic receptor in HT-29 cells


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


(Homo sapiens (Human))
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES Cc1c(ccc2nccnc12)N=C1NCCN1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
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2n/an/an/an/an/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against Alpha-2A adrenergic receptor from cloned human C-10 receptor transfected into Chinese hamst...


J Med Chem 39: 3533-8 (1996)


Article DOI: 10.1021/jm960359r
BindingDB Entry DOI: 10.7270/Q2PC31GF
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES Cc1c(ccc2nccnc12)N=C1NCCN1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
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2n/an/an/an/an/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rauwolscine from human Alpha-2A adrenergic receptor expressed in CHO cells


J Med Chem 40: 18-23 (1997)


Article DOI: 10.1021/jm9605142
BindingDB Entry DOI: 10.7270/Q2RV0MST
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES Cc1c(ccc2nccnc12)N=C1NCCN1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
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7.20n/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)
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES Cc1c(ccc2nccnc12)N=C1NCCN1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
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8.90n/an/an/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES Cc1c(ccc2nccnc12)N=C1NCCN1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
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17n/an/an/an/an/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against Alpha-2B adrenergic receptor from cloned rat RNG receptor transfected into Chinese hamster ...


J Med Chem 39: 3533-8 (1996)


Article DOI: 10.1021/jm960359r
BindingDB Entry DOI: 10.7270/Q2PC31GF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES Cc1c(ccc2nccnc12)N=C1NCCN1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
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17n/an/an/an/an/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rauwolscine from rat Alpha-2B adrenergic receptor expressed in CHO cells


J Med Chem 40: 18-23 (1997)


Article DOI: 10.1021/jm9605142
BindingDB Entry DOI: 10.7270/Q2RV0MST
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES Cc1c(ccc2nccnc12)N=C1NCCN1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
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27n/an/an/an/an/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against Alpha-2C adrenergic receptor from cloned human C-2 receptor transfected into Chinese hamste...


J Med Chem 39: 3533-8 (1996)


Article DOI: 10.1021/jm960359r
BindingDB Entry DOI: 10.7270/Q2PC31GF
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES Cc1c(ccc2nccnc12)N=C1NCCN1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
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27n/an/an/an/an/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rauwolscine from human Alpha-2C adrenergic receptor expressed in CHO cells


J Med Chem 40: 18-23 (1997)


Article DOI: 10.1021/jm9605142
BindingDB Entry DOI: 10.7270/Q2RV0MST
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES Cc1c(ccc2nccnc12)N=C1NCCN1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
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28n/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
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES Cc1c(ccc2nccnc12)N=C1NCCN1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
MMDB

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Patents

1.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in human brain


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


(HUMAN-Homo sapiens (Human))
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES Cc1c(ccc2nccnc12)N=C1NCCN1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
MMDB

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1.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for Alpha-1 adrenergic receptor of human cerebral cortex membrane


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


(Homo sapiens (Human))
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES Cc1c(ccc2nccnc12)N=C1NCCN1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
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3.31E+3n/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
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES Cc1c(ccc2nccnc12)N=C1NCCN1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
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n/an/an/an/a 1.20n/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens-Homo sapiens (Human))
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES Cc1c(ccc2nccnc12)N=C1NCCN1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
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n/an/an/an/a 0.300n/an/an/an/a


TBA

Assay Description
Inhibition of Alpha-2 adrenergic receptor induced contractile response of rabbit vas deferens


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


(Homo sapiens)
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES Cc1c(ccc2nccnc12)N=C1NCCN1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
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n/an/an/an/a 78n/an/an/an/a


TBA

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


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


(Homo sapiens (Human))
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES Cc1c(ccc2nccnc12)N=C1NCCN1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
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n/an/an/an/a 14n/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair