BindingDB logo
myBDB logout

4 similar compounds to monomer 50318267

Compile data set for download or QSAR
Wt: 329.3
BDBM50318268
Wt: 363.8
BDBM50318273
Wt: 435.4
BDBM50318278
Wt: 449.5
BDBM50318281

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50318268,50318273,50318278,50318281   
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 A3


(Homo sapiens (Human))
BDBM50318268
PNG
(CHEMBL1096754 | N-(2-methyl-6-phenyl-2H-pyrazolo[3...)
Show SMILES Cn1cc2c(NC(=O)c3ccccc3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C19H15N5O/c1-24-12-15-17(22-19(25)14-10-6-3-7-11-14)20-16(21-18(15)23-24)13-8-4-2-5-9-13/h2-12H,1H3,(H,20,21,22,23,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 53: 3954-63 (2010)


Article DOI: 10.1021/jm901785w
BindingDB Entry DOI: 10.7270/Q2N017HH
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50318273
PNG
(3-chloro-N-(2-methyl-6-phenyl-2H-pyrazolo[3,4-d]py...)
Show SMILES Cn1cc2c(NC(=O)c3cccc(Cl)c3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C19H14ClN5O/c1-25-11-15-17(23-19(26)13-8-5-9-14(20)10-13)21-16(22-18(15)24-25)12-6-3-2-4-7-12/h2-11H,1H3,(H,21,22,23,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.90n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 53: 3954-63 (2010)


Article DOI: 10.1021/jm901785w
BindingDB Entry DOI: 10.7270/Q2N017HH
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50318278
PNG
(CHEMBL1099102 | N-(2-benzyl-6-phenyl-2H-pyrazolo[3...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2nn(Cc3ccccc3)cc12)-c1ccccc1
Show InChI InChI=1S/C26H21N5O2/c1-33-21-14-12-20(13-15-21)26(32)29-24-22-17-31(16-18-8-4-2-5-9-18)30-25(22)28-23(27-24)19-10-6-3-7-11-19/h2-15,17H,16H2,1H3,(H,27,28,29,30,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
22.1n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 53: 3954-63 (2010)


Article DOI: 10.1021/jm901785w
BindingDB Entry DOI: 10.7270/Q2N017HH
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50318281
PNG
(4-methoxy-N-(2-phenethyl-6-phenyl-2H-pyrazolo[3,4-...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2nn(CCc3ccccc3)cc12)-c1ccccc1
Show InChI InChI=1S/C27H23N5O2/c1-34-22-14-12-21(13-15-22)27(33)30-25-23-18-32(17-16-19-8-4-2-5-9-19)31-26(23)29-24(28-25)20-10-6-3-7-11-20/h2-15,18H,16-17H2,1H3,(H,28,29,30,31,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
45.2n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 53: 3954-63 (2010)


Article DOI: 10.1021/jm901785w
BindingDB Entry DOI: 10.7270/Q2N017HH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50318268
PNG
(CHEMBL1096754 | N-(2-methyl-6-phenyl-2H-pyrazolo[3...)
Show SMILES Cn1cc2c(NC(=O)c3ccccc3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C19H15N5O/c1-24-12-15-17(22-19(25)14-10-6-3-7-11-14)20-16(21-18(15)23-24)13-8-4-2-5-9-13/h2-12H,1H3,(H,20,21,22,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
334n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


J Med Chem 53: 3954-63 (2010)


Article DOI: 10.1021/jm901785w
BindingDB Entry DOI: 10.7270/Q2N017HH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50318268
PNG
(CHEMBL1096754 | N-(2-methyl-6-phenyl-2H-pyrazolo[3...)
Show SMILES Cn1cc2c(NC(=O)c3ccccc3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C19H15N5O/c1-24-12-15-17(22-19(25)14-10-6-3-7-11-14)20-16(21-18(15)23-24)13-8-4-2-5-9-13/h2-12H,1H3,(H,20,21,22,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
728n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 53: 3954-63 (2010)


Article DOI: 10.1021/jm901785w
BindingDB Entry DOI: 10.7270/Q2N017HH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50318273
PNG
(3-chloro-N-(2-methyl-6-phenyl-2H-pyrazolo[3,4-d]py...)
Show SMILES Cn1cc2c(NC(=O)c3cccc(Cl)c3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C19H14ClN5O/c1-25-11-15-17(23-19(26)13-8-5-9-14(20)10-13)21-16(22-18(15)24-25)12-6-3-2-4-7-12/h2-11H,1H3,(H,21,22,23,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
886n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 53: 3954-63 (2010)


Article DOI: 10.1021/jm901785w
BindingDB Entry DOI: 10.7270/Q2N017HH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50318273
PNG
(3-chloro-N-(2-methyl-6-phenyl-2H-pyrazolo[3,4-d]py...)
Show SMILES Cn1cc2c(NC(=O)c3cccc(Cl)c3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C19H14ClN5O/c1-25-11-15-17(23-19(26)13-8-5-9-14(20)10-13)21-16(22-18(15)24-25)12-6-3-2-4-7-12/h2-11H,1H3,(H,21,22,23,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.08E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


J Med Chem 53: 3954-63 (2010)


Article DOI: 10.1021/jm901785w
BindingDB Entry DOI: 10.7270/Q2N017HH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50318281
PNG
(4-methoxy-N-(2-phenethyl-6-phenyl-2H-pyrazolo[3,4-...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2nn(CCc3ccccc3)cc12)-c1ccccc1
Show InChI InChI=1S/C27H23N5O2/c1-34-22-14-12-21(13-15-22)27(33)30-25-23-18-32(17-16-19-8-4-2-5-9-19)31-26(23)29-24(28-25)20-10-6-3-7-11-20/h2-15,18H,16-17H2,1H3,(H,28,29,30,31,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.14E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 53: 3954-63 (2010)


Article DOI: 10.1021/jm901785w
BindingDB Entry DOI: 10.7270/Q2N017HH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50318281
PNG
(4-methoxy-N-(2-phenethyl-6-phenyl-2H-pyrazolo[3,4-...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2nn(CCc3ccccc3)cc12)-c1ccccc1
Show InChI InChI=1S/C27H23N5O2/c1-34-22-14-12-21(13-15-22)27(33)30-25-23-18-32(17-16-19-8-4-2-5-9-19)31-26(23)29-24(28-25)20-10-6-3-7-11-20/h2-15,18H,16-17H2,1H3,(H,28,29,30,31,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Universit£ di Pisa

Curated by ChEMBL


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


J Med Chem 53: 3954-63 (2010)


Article DOI: 10.1021/jm901785w
BindingDB Entry DOI: 10.7270/Q2N017HH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50318278
PNG
(CHEMBL1099102 | N-(2-benzyl-6-phenyl-2H-pyrazolo[3...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2nn(Cc3ccccc3)cc12)-c1ccccc1
Show InChI InChI=1S/C26H21N5O2/c1-33-21-14-12-20(13-15-21)26(32)29-24-22-17-31(16-18-8-4-2-5-9-18)30-25(22)28-23(27-24)19-10-6-3-7-11-19/h2-15,17H,16H2,1H3,(H,27,28,29,30,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


J Med Chem 53: 3954-63 (2010)


Article DOI: 10.1021/jm901785w
BindingDB Entry DOI: 10.7270/Q2N017HH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50318278
PNG
(CHEMBL1099102 | N-(2-benzyl-6-phenyl-2H-pyrazolo[3...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2nn(Cc3ccccc3)cc12)-c1ccccc1
Show InChI InChI=1S/C26H21N5O2/c1-33-21-14-12-20(13-15-21)26(32)29-24-22-17-31(16-18-8-4-2-5-9-18)30-25(22)28-23(27-24)19-10-6-3-7-11-19/h2-15,17H,16H2,1H3,(H,27,28,29,30,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 53: 3954-63 (2010)


Article DOI: 10.1021/jm901785w
BindingDB Entry DOI: 10.7270/Q2N017HH
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50318268
PNG
(CHEMBL1096754 | N-(2-methyl-6-phenyl-2H-pyrazolo[3...)
Show SMILES Cn1cc2c(NC(=O)c3ccccc3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C19H15N5O/c1-24-12-15-17(22-19(25)14-10-6-3-7-11-14)20-16(21-18(15)23-24)13-8-4-2-5-9-13/h2-12H,1H3,(H,20,21,22,23,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Antagonist activity human recombinant adenosine A3 receptor expressed in CHO cells assessed as blockade of NECA-mediated inhibition of forskolin-stim...


J Med Chem 53: 3954-63 (2010)


Article DOI: 10.1021/jm901785w
BindingDB Entry DOI: 10.7270/Q2N017HH
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50318268
PNG
(CHEMBL1096754 | N-(2-methyl-6-phenyl-2H-pyrazolo[3...)
Show SMILES Cn1cc2c(NC(=O)c3ccccc3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C19H15N5O/c1-24-12-15-17(22-19(25)14-10-6-3-7-11-14)20-16(21-18(15)23-24)13-8-4-2-5-9-13/h2-12H,1H3,(H,20,21,22,23,25)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 49.8n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Antagonist activity human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-mediated [3H]cAMP accumulation tre...


J Med Chem 53: 3954-63 (2010)


Article DOI: 10.1021/jm901785w
BindingDB Entry DOI: 10.7270/Q2N017HH
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50318268
PNG
(CHEMBL1096754 | N-(2-methyl-6-phenyl-2H-pyrazolo[3...)
Show SMILES Cn1cc2c(NC(=O)c3ccccc3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C19H15N5O/c1-24-12-15-17(22-19(25)14-10-6-3-7-11-14)20-16(21-18(15)23-24)13-8-4-2-5-9-13/h2-12H,1H3,(H,20,21,22,23,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.740n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A3 receptor in human U87MG cells assessed as inhibition of Cl-IB-MECA-mediated ERK1/2 phosphorylation after 30 mins ...


J Med Chem 53: 3954-63 (2010)


Article DOI: 10.1021/jm901785w
BindingDB Entry DOI: 10.7270/Q2N017HH
More data for this
Ligand-Target Pair