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BDBM50213348 CHEMBL72753

SMILES: Clc1c(NC2=NCCN2)ccc2nccnc12

InChI Key: InChIKey=VJQWCCBDYLTRPZ-UHFFFAOYSA-N

Data: 3 KI  2 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 5 hits for monomerid = 50213348   
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
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50213348
PNG
(CHEMBL72753)
Show SMILES Clc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10ClN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

37n/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
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50213348
PNG
(CHEMBL72753)
Show SMILES Clc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10ClN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

2.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for human Alpha-1D 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))
BDBM50213348
PNG
(CHEMBL72753)
Show SMILES Clc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10ClN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

1.05E+4n/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
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50213348
PNG
(CHEMBL72753)
Show SMILES Clc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10ClN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 31n/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
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50213348
PNG
(CHEMBL72753)
Show SMILES Clc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10ClN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 2.30n/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