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8 similar compounds to monomer 50253889

Compile data set for download or QSAR
Wt: 412.9
BDBM50253307
Wt: 349.8
BDBM50253852
Wt: 425.9
BDBM50253925
Wt: 436.9
BDBM50253927
Wt: 479.9
BDBM50253928
Wt: 425.9
BDBM50253890
Wt: 429.9
BDBM50253891
Wt: 446.3
BDBM50253892

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50253307,50253852,50253925,50253927,50253928,50253890,50253891,50253892   
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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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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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))
BDBM50253928
PNG
((2-amino-4-((4-(4-(trifluoromethyl)phenyl)piperazi...)
Show SMILES Nc1scc(CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)c1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClF3N3OS/c24-18-5-1-15(2-6-18)21(31)20-16(14-32-22(20)28)13-29-9-11-30(12-10-29)19-7-3-17(4-8-19)23(25,26)27/h1-8,14H,9-13,28H2
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n/an/an/a 1.90n/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))
BDBM50253927
PNG
(4-(4-((5-amino-4-(4-chlorobenzoyl)thiophen-3-yl)me...)
Show SMILES Nc1scc(CN2CCN(CC2)c2ccc(cc2)C#N)c1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN4OS/c24-19-5-3-17(4-6-19)22(29)21-18(15-30-23(21)26)14-27-9-11-28(12-10-27)20-7-1-16(13-25)2-8-20/h1-8,15H,9-12,14,26H2
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n/an/an/a 1.80n/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))
BDBM50253925
PNG
((2-amino-4-((4-p-tolylpiperazin-1-yl)methyl)thioph...)
Show SMILES Cc1ccc(cc1)N1CCN(Cc2csc(N)c2C(=O)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H24ClN3OS/c1-16-2-8-20(9-3-16)27-12-10-26(11-13-27)14-18-15-29-23(25)21(18)22(28)17-4-6-19(24)7-5-17/h2-9,15H,10-14,25H2,1H3
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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))
BDBM50253892
PNG
((2-amino-4-((4-(4-chlorophenyl)piperazin-1-yl)meth...)
Show SMILES Nc1scc(CN2CCN(CC2)c2ccc(Cl)cc2)c1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21Cl2N3OS/c23-17-3-1-15(2-4-17)21(28)20-16(14-29-22(20)25)13-26-9-11-27(12-10-26)19-7-5-18(24)6-8-19/h1-8,14H,9-13,25H2
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n/an/an/a 1.80n/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))
BDBM50253891
PNG
((2-amino-4-((4-(4-fluorophenyl)piperazin-1-yl)meth...)
Show SMILES Nc1scc(CN2CCN(CC2)c2ccc(F)cc2)c1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21ClFN3OS/c23-17-3-1-15(2-4-17)21(28)20-16(14-29-22(20)25)13-26-9-11-27(12-10-26)19-7-5-18(24)6-8-19/h1-8,14H,9-13,25H2
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n/an/an/a 1.80n/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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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))
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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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
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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))
BDBM50253928
PNG
((2-amino-4-((4-(4-(trifluoromethyl)phenyl)piperazi...)
Show SMILES Nc1scc(CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)c1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClF3N3OS/c24-18-5-1-15(2-6-18)21(31)20-16(14-32-22(20)28)13-29-9-11-30(12-10-29)19-7-3-17(4-8-19)23(25,26)27/h1-8,14H,9-13,28H2
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n/an/an/a 1n/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))
BDBM50253927
PNG
(4-(4-((5-amino-4-(4-chlorobenzoyl)thiophen-3-yl)me...)
Show SMILES Nc1scc(CN2CCN(CC2)c2ccc(cc2)C#N)c1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN4OS/c24-19-5-3-17(4-6-19)22(29)21-18(15-30-23(21)26)14-27-9-11-28(12-10-27)20-7-1-16(13-25)2-8-20/h1-8,15H,9-12,14,26H2
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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))
BDBM50253925
PNG
((2-amino-4-((4-p-tolylpiperazin-1-yl)methyl)thioph...)
Show SMILES Cc1ccc(cc1)N1CCN(Cc2csc(N)c2C(=O)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H24ClN3OS/c1-16-2-8-20(9-3-16)27-12-10-26(11-13-27)14-18-15-29-23(25)21(18)22(28)17-4-6-19(24)7-5-17/h2-9,15H,10-14,25H2,1H3
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n/an/an/a 1n/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))
BDBM50253892
PNG
((2-amino-4-((4-(4-chlorophenyl)piperazin-1-yl)meth...)
Show SMILES Nc1scc(CN2CCN(CC2)c2ccc(Cl)cc2)c1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21Cl2N3OS/c23-17-3-1-15(2-4-17)21(28)20-16(14-29-22(20)25)13-26-9-11-27(12-10-26)19-7-5-18(24)6-8-19/h1-8,14H,9-13,25H2
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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))
BDBM50253891
PNG
((2-amino-4-((4-(4-fluorophenyl)piperazin-1-yl)meth...)
Show SMILES Nc1scc(CN2CCN(CC2)c2ccc(F)cc2)c1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21ClFN3OS/c23-17-3-1-15(2-4-17)21(28)20-16(14-29-22(20)25)13-26-9-11-27(12-10-26)19-7-5-18(24)6-8-19/h1-8,14H,9-13,25H2
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n/an/an/a 1n/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
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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