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3 similar compounds to monomer 50253308

Compile data set for download or QSAR
Wt: 412.9
BDBM50253307
Wt: 349.8
BDBM50253852
Wt: 425.9
BDBM50253890

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50253307,50253852,50253890   
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


(Homo sapiens (Human))
BDBM50253852
PNG
((2-amino-4-((4-methylpiperazin-1-yl)methyl)thiophe...)
Show SMILES CN1CCN(Cc2csc(N)c2C(=O)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C17H20ClN3OS/c1-20-6-8-21(9-7-20)10-13-11-23-17(19)15(13)16(22)12-2-4-14(18)5-3-12/h2-5,11H,6-10,19H2,1H3
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Article
PubMed
n/an/an/a 1.70n/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 51: 5875-9 (2008)


Article DOI: 10.1021/jm800586p
BindingDB Entry DOI: 10.7270/Q2PG1RJ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50253307
PNG
((2-amino-4-((4-(pyridin-2-yl)piperazin-1-yl)methyl...)
Show SMILES Nc1scc(CN2CCN(CC2)c2ccccn2)c1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClN4OS/c22-17-6-4-15(5-7-17)20(27)19-16(14-28-21(19)23)13-25-9-11-26(12-10-25)18-3-1-2-8-24-18/h1-8,14H,9-13,23H2
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Article
PubMed
n/an/an/a 1.70n/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 51: 5875-9 (2008)


Article DOI: 10.1021/jm800586p
BindingDB Entry DOI: 10.7270/Q2PG1RJ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50253890
PNG
((2-amino-4-((4-benzylpiperazin-1-yl)methyl)thiophe...)
Show SMILES Nc1scc(CN2CCN(Cc3ccccc3)CC2)c1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClN3OS/c24-20-8-6-18(7-9-20)22(28)21-19(16-29-23(21)25)15-27-12-10-26(11-13-27)14-17-4-2-1-3-5-17/h1-9,16H,10-15,25H2
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PubMed
n/an/an/a 1.10n/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


J Med Chem 51: 5875-9 (2008)


Article DOI: 10.1021/jm800586p
BindingDB Entry DOI: 10.7270/Q2PG1RJ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50253852
PNG
((2-amino-4-((4-methylpiperazin-1-yl)methyl)thiophe...)
Show SMILES CN1CCN(Cc2csc(N)c2C(=O)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C17H20ClN3OS/c1-20-6-8-21(9-7-20)10-13-11-23-17(19)15(13)16(22)12-2-4-14(18)5-3-12/h2-5,11H,6-10,19H2,1H3
PDB

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PubMed
n/an/an/a 1.20n/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


J Med Chem 51: 5875-9 (2008)


Article DOI: 10.1021/jm800586p
BindingDB Entry DOI: 10.7270/Q2PG1RJ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50253307
PNG
((2-amino-4-((4-(pyridin-2-yl)piperazin-1-yl)methyl...)
Show SMILES Nc1scc(CN2CCN(CC2)c2ccccn2)c1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClN4OS/c22-17-6-4-15(5-7-17)20(27)19-16(14-28-21(19)23)13-25-9-11-26(12-10-25)18-3-1-2-8-24-18/h1-8,14H,9-13,23H2
PDB

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Article
PubMed
n/an/an/a 1.20n/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


J Med Chem 51: 5875-9 (2008)


Article DOI: 10.1021/jm800586p
BindingDB Entry DOI: 10.7270/Q2PG1RJ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50253890
PNG
((2-amino-4-((4-benzylpiperazin-1-yl)methyl)thiophe...)
Show SMILES Nc1scc(CN2CCN(Cc3ccccc3)CC2)c1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClN3OS/c24-20-8-6-18(7-9-20)22(28)21-19(16-29-23(21)25)15-27-12-10-26(11-13-27)14-17-4-2-1-3-5-17/h1-9,16H,10-15,25H2
PDB

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Article
PubMed
n/an/an/a 1.70n/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 51: 5875-9 (2008)


Article DOI: 10.1021/jm800586p
BindingDB Entry DOI: 10.7270/Q2PG1RJ9
More data for this
Ligand-Target Pair