Found 59 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186980
(6-(4-{[4-(4-bromobenzyl)piperazin-1-yl]sulfonyl}ph...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Br)cc2)CC1 Show InChI InChI=1S/C25H26BrN5O4S/c1-28-22-15-21(27-23(22)24(32)29(2)25(28)33)18-5-9-20(10-6-18)36(34,35)31-13-11-30(12-14-31)16-17-3-7-19(26)8-4-17/h3-10,15,27H,11-14,16H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186973
(6-(4-(4-((5-chlorothiophen-2-yl)methyl)piperazin-1...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Cl)s2)CC1 Show InChI InChI=1S/C23H24ClN5O4S2/c1-26-19-13-18(25-21(19)22(30)27(2)23(26)31)15-3-6-17(7-4-15)35(32,33)29-11-9-28(10-12-29)14-16-5-8-20(24)34-16/h3-8,13,25H,9-12,14H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186979
(4-((4-(4-(1-methyl-2,4-dioxo-3-propyl-2,3,4,5-tetr...)Show SMILES CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)C#N)CC1 Show InChI InChI=1S/C28H30N6O4S/c1-3-12-34-27(35)26-25(31(2)28(34)36)17-24(30-26)22-8-10-23(11-9-22)39(37,38)33-15-13-32(14-16-33)19-21-6-4-20(18-29)5-7-21/h4-11,17,30H,3,12-16,19H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186991
(1,3-dimethyl-6-(4-(4-phenylpiperazin-1-ylsulfonyl)...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C24H25N5O4S/c1-26-21-16-20(25-22(21)23(30)27(2)24(26)31)17-8-10-19(11-9-17)34(32,33)29-14-12-28(13-15-29)18-6-4-3-5-7-18/h3-11,16,25H,12-15H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186992
(6-(4-(4-(2,4-difluorobenzyl)piperazin-1-ylsulfonyl...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C25H25F2N5O4S/c1-29-22-14-21(28-23(22)24(33)30(2)25(29)34)16-4-7-19(8-5-16)37(35,36)32-11-9-31(10-12-32)15-17-3-6-18(26)13-20(17)27/h3-8,13-14,28H,9-12,15H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186977
(6-(4-(4-(3-fluorobenzyl)piperazin-1-ylsulfonyl)phe...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1 Show InChI InChI=1S/C25H26FN5O4S/c1-28-22-15-21(27-23(22)24(32)29(2)25(28)33)18-6-8-20(9-7-18)36(34,35)31-12-10-30(11-13-31)16-17-4-3-5-19(26)14-17/h3-9,14-15,27H,10-13,16H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186982
(6-(4-(4-(4-fluorobenzyl)piperazin-1-ylsulfonyl)phe...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C25H26FN5O4S/c1-28-22-15-21(27-23(22)24(32)29(2)25(28)33)18-5-9-20(10-6-18)36(34,35)31-13-11-30(12-14-31)16-17-3-7-19(26)8-4-17/h3-10,15,27H,11-14,16H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186974
(CHEMBL210969 | N-(1-(4-fluorobenzyl)piperidin-4-yl...)Show SMILES CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C28H32FN5O4S/c1-3-33-25-17-24(30-26(25)27(35)34(4-2)28(33)36)20-7-11-23(12-8-20)39(37,38)31-22-13-15-32(16-14-22)18-19-5-9-21(29)10-6-19/h5-12,17,22,30-31H,3-4,13-16,18H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186976
(4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-py...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)Nc1ccccn1 Show InChI InChI=1S/C19H17N5O4S/c1-23-15-11-14(21-17(15)18(25)24(2)19(23)26)12-6-8-13(9-7-12)29(27,28)22-16-5-3-4-10-20-16/h3-11,21H,1-2H3,(H,20,22) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50186985
(CHEMBL212528 | N-((5-methoxypyridin-2-yl)methyl)-4...)Show SMILES CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCc1ccc(OC)cn1 Show InChI InChI=1S/C23H25N5O5S/c1-4-11-28-22(29)21-20(27(2)23(28)30)12-19(26-21)15-5-9-18(10-6-15)34(31,32)25-13-16-7-8-17(33-3)14-24-16/h5-10,12,14,25-26H,4,11,13H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186983
(6-(4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-...)Show SMILES CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C28H31N5O6S/c1-3-10-33-23-16-22(29-26(23)27(34)30(2)28(33)35)20-5-7-21(8-6-20)40(36,37)32-13-11-31(12-14-32)17-19-4-9-24-25(15-19)39-18-38-24/h4-9,15-16,29H,3,10-14,17-18H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186984
(4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-py...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccn1 Show InChI InChI=1S/C21H21N5O4S/c1-25-18-13-17(24-19(18)20(27)26(2)21(25)28)14-6-8-16(9-7-14)31(29,30)23-12-10-15-5-3-4-11-22-15/h3-9,11,13,23-24H,10,12H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186985
(CHEMBL212528 | N-((5-methoxypyridin-2-yl)methyl)-4...)Show SMILES CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCc1ccc(OC)cn1 Show InChI InChI=1S/C23H25N5O5S/c1-4-11-28-22(29)21-20(27(2)23(28)30)12-19(26-21)15-5-9-18(10-6-15)34(31,32)25-13-16-7-8-17(33-3)14-24-16/h5-10,12,14,25-26H,4,11,13H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186978
(6-(4-(4-(3-fluorobenzyl)piperazin-1-ylsulfonyl)phe...)Show SMILES CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1 Show InChI InChI=1S/C27H30FN5O4S/c1-3-32-24-17-23(29-25(24)26(34)33(4-2)27(32)35)20-8-10-22(11-9-20)38(36,37)31-14-12-30(13-15-31)18-19-6-5-7-21(28)16-19/h5-11,16-17,29H,3-4,12-15,18H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186988
(6-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1,3-d...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H27N5O4S/c1-27-22-16-21(26-23(22)24(31)28(2)25(27)32)19-8-10-20(11-9-19)35(33,34)30-14-12-29(13-15-30)17-18-6-4-3-5-7-18/h3-11,16,26H,12-15,17H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186995
(6-(4-(4-(3-fluorobenzyl)piperazin-1-ylsulfonyl)phe...)Show SMILES CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1 Show InChI InChI=1S/C27H30FN5O4S/c1-3-11-33-24-17-23(29-25(24)26(34)30(2)27(33)35)20-7-9-22(10-8-20)38(36,37)32-14-12-31(13-15-32)18-19-5-4-6-21(28)16-19/h4-10,16-17,29H,3,11-15,18H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186989
(4-(1-methyl-2,4-dioxo-3-propyl-2,3,4,5-tetrahydro-...)Show SMILES CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccn1 Show InChI InChI=1S/C23H25N5O4S/c1-3-14-28-22(29)21-20(27(2)23(28)30)15-19(26-21)16-7-9-18(10-8-16)33(31,32)25-13-11-17-6-4-5-12-24-17/h4-10,12,15,25-26H,3,11,13-14H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186981
(4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-py...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCOc1ccccn1 Show InChI InChI=1S/C21H21N5O5S/c1-25-17-13-16(24-19(17)20(27)26(2)21(25)28)14-6-8-15(9-7-14)32(29,30)23-11-12-31-18-5-3-4-10-22-18/h3-10,13,23-24H,11-12H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186987
(CHEMBL209944 | N-(1-benzylpiperidin-4-yl)-4-(2,4-d...)Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C30H37N5O4S/c1-3-16-34-27-20-26(31-28(27)29(36)35(17-4-2)30(34)37)23-10-12-25(13-11-23)40(38,39)32-24-14-18-33(19-15-24)21-22-8-6-5-7-9-22/h5-13,20,24,31-32H,3-4,14-19,21H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186986
(4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-py...)Show SMILES COc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cc3n(C)c(=O)n(C)c(=O)c3[nH]2)cn1 Show InChI InChI=1S/C20H19N5O5S/c1-24-16-10-15(22-18(16)19(26)25(2)20(24)27)12-4-7-14(8-5-12)31(28,29)23-13-6-9-17(30-3)21-11-13/h4-11,22-23H,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186975
(4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-py...)Show SMILES COc1ccc(CNS(=O)(=O)c2ccc(cc2)-c2cc3n(C)c(=O)n(C)c(=O)c3[nH]2)nc1 Show InChI InChI=1S/C21H21N5O5S/c1-25-18-10-17(24-19(18)20(27)26(2)21(25)28)13-4-8-16(9-5-13)32(29,30)23-11-14-6-7-15(31-3)12-22-14/h4-10,12,23-24H,11H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186996
(1,3-dimethyl-6-(4-(4-(pyridin-4-ylmethyl)piperazin...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccncc2)CC1 Show InChI InChI=1S/C24H26N6O4S/c1-27-21-15-20(26-22(21)23(31)28(2)24(27)32)18-3-5-19(6-4-18)35(33,34)30-13-11-29(12-14-30)16-17-7-9-25-10-8-17/h3-10,15,26H,11-14,16H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186990
(CHEMBL211347 | N-(1-benzylpiperidin-4-yl)-4-(1,3-d...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C26H29N5O4S/c1-29-23-16-22(27-24(23)25(32)30(2)26(29)33)19-8-10-21(11-9-19)36(34,35)28-20-12-14-31(15-13-20)17-18-6-4-3-5-7-18/h3-11,16,20,27-28H,12-15,17H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50186986
(4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-py...)Show SMILES COc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cc3n(C)c(=O)n(C)c(=O)c3[nH]2)cn1 Show InChI InChI=1S/C20H19N5O5S/c1-24-16-10-15(22-18(16)19(26)25(2)20(24)27)12-4-7-14(8-5-12)31(28,29)23-13-6-9-17(30-3)21-11-13/h4-11,22-23H,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50186987
(CHEMBL209944 | N-(1-benzylpiperidin-4-yl)-4-(2,4-d...)Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C30H37N5O4S/c1-3-16-34-27-20-26(31-28(27)29(36)35(17-4-2)30(34)37)23-10-12-25(13-11-23)40(38,39)32-24-14-18-33(19-15-24)21-22-8-6-5-7-9-22/h5-13,20,24,31-32H,3-4,14-19,21H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50186976
(4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-py...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)Nc1ccccn1 Show InChI InChI=1S/C19H17N5O4S/c1-23-15-11-14(21-17(15)18(25)24(2)19(23)26)12-6-8-13(9-7-12)29(27,28)22-16-5-3-4-10-20-16/h3-11,21H,1-2H3,(H,20,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186993
(4-(1,3-diethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyr...)Show SMILES CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccn1 Show InChI InChI=1S/C23H25N5O4S/c1-3-27-20-15-19(26-21(20)22(29)28(4-2)23(27)30)16-8-10-18(11-9-16)33(31,32)25-14-12-17-7-5-6-13-24-17/h5-11,13,15,25-26H,3-4,12,14H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50186994
(CHEMBL210560 | N-(1-benzylpiperidin-4-yl)-4-(1,3-d...)Show SMILES CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C27H31N5O4S/c1-29-24-17-23(28-25(24)26(33)30(2)27(29)34)20-9-11-22(12-10-20)37(35,36)31(3)21-13-15-32(16-14-21)18-19-7-5-4-6-8-19/h4-12,17,21,28H,13-16,18H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50186975
(4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-py...)Show SMILES COc1ccc(CNS(=O)(=O)c2ccc(cc2)-c2cc3n(C)c(=O)n(C)c(=O)c3[nH]2)nc1 Show InChI InChI=1S/C21H21N5O5S/c1-25-18-10-17(24-19(18)20(27)26(2)21(25)28)13-4-8-16(9-5-13)32(29,30)23-11-14-6-7-15(31-3)12-22-14/h4-10,12,23-24H,11H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50186973
(6-(4-(4-((5-chlorothiophen-2-yl)methyl)piperazin-1...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Cl)s2)CC1 Show InChI InChI=1S/C23H24ClN5O4S2/c1-26-19-13-18(25-21(19)22(30)27(2)23(26)31)15-3-6-17(7-4-15)35(32,33)29-11-9-28(10-12-29)14-16-5-8-20(24)34-16/h3-8,13,25H,9-12,14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50186983
(6-(4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-...)Show SMILES CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C28H31N5O6S/c1-3-10-33-23-16-22(29-26(23)27(34)30(2)28(33)35)20-5-7-21(8-6-20)40(36,37)32-13-11-31(12-14-32)17-19-4-9-24-25(15-19)39-18-38-24/h4-9,15-16,29H,3,10-14,17-18H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50186989
(4-(1-methyl-2,4-dioxo-3-propyl-2,3,4,5-tetrahydro-...)Show SMILES CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccn1 Show InChI InChI=1S/C23H25N5O4S/c1-3-14-28-22(29)21-20(27(2)23(28)30)15-19(26-21)16-7-9-18(10-8-16)33(31,32)25-13-11-17-6-4-5-12-24-17/h4-10,12,15,25-26H,3,11,13-14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50186992
(6-(4-(4-(2,4-difluorobenzyl)piperazin-1-ylsulfonyl...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C25H25F2N5O4S/c1-29-22-14-21(28-23(22)24(33)30(2)25(29)34)16-4-7-19(8-5-16)37(35,36)32-11-9-31(10-12-32)15-17-3-6-18(26)13-20(17)27/h3-8,13-14,28H,9-12,15H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50186993
(4-(1,3-diethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyr...)Show SMILES CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccn1 Show InChI InChI=1S/C23H25N5O4S/c1-3-27-20-15-19(26-21(20)22(29)28(4-2)23(27)30)16-8-10-18(11-9-16)33(31,32)25-14-12-17-7-5-6-13-24-17/h5-11,13,15,25-26H,3-4,12,14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50186984
(4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-py...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccn1 Show InChI InChI=1S/C21H21N5O4S/c1-25-18-13-17(24-19(18)20(27)26(2)21(25)28)14-6-8-16(9-7-14)31(29,30)23-12-10-15-5-3-4-11-22-15/h3-9,11,13,23-24H,10,12H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50186977
(6-(4-(4-(3-fluorobenzyl)piperazin-1-ylsulfonyl)phe...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1 Show InChI InChI=1S/C25H26FN5O4S/c1-28-22-15-21(27-23(22)24(32)29(2)25(28)33)18-6-8-20(9-7-18)36(34,35)31-12-10-30(11-13-31)16-17-4-3-5-19(26)14-17/h3-9,14-15,27H,10-13,16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 152 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50186980
(6-(4-{[4-(4-bromobenzyl)piperazin-1-yl]sulfonyl}ph...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Br)cc2)CC1 Show InChI InChI=1S/C25H26BrN5O4S/c1-28-22-15-21(27-23(22)24(32)29(2)25(28)33)18-5-9-20(10-6-18)36(34,35)31-13-11-30(12-14-31)16-17-3-7-19(26)8-4-17/h3-10,15,27H,11-14,16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 183 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50186974
(CHEMBL210969 | N-(1-(4-fluorobenzyl)piperidin-4-yl...)Show SMILES CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C28H32FN5O4S/c1-3-33-25-17-24(30-26(25)27(35)34(4-2)28(33)36)20-7-11-23(12-8-20)39(37,38)31-22-13-15-32(16-14-22)18-19-5-9-21(29)10-6-19/h5-12,17,22,30-31H,3-4,13-16,18H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 205 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50186978
(6-(4-(4-(3-fluorobenzyl)piperazin-1-ylsulfonyl)phe...)Show SMILES CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1 Show InChI InChI=1S/C27H30FN5O4S/c1-3-32-24-17-23(29-25(24)26(34)33(4-2)27(32)35)20-8-10-22(11-9-20)38(36,37)31-14-12-30(13-15-31)18-19-6-5-7-21(28)16-19/h5-11,16-17,29H,3-4,12-15,18H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50186979
(4-((4-(4-(1-methyl-2,4-dioxo-3-propyl-2,3,4,5-tetr...)Show SMILES CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)C#N)CC1 Show InChI InChI=1S/C28H30N6O4S/c1-3-12-34-27(35)26-25(31(2)28(34)36)17-24(30-26)22-8-10-23(11-9-22)39(37,38)33-15-13-32(14-16-33)19-21-6-4-20(18-29)5-7-21/h4-11,17,30H,3,12-16,19H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50186981
(4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-py...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCOc1ccccn1 Show InChI InChI=1S/C21H21N5O5S/c1-25-17-13-16(24-19(17)20(27)26(2)21(25)28)14-6-8-15(9-7-14)32(29,30)23-11-12-31-18-5-3-4-10-22-18/h3-10,13,23-24H,11-12H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 396 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50186988
(6-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1,3-d...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H27N5O4S/c1-27-22-16-21(26-23(22)24(31)28(2)25(27)32)19-8-10-20(11-9-19)35(33,34)30-14-12-29(13-15-30)17-18-6-4-3-5-7-18/h3-11,16,26H,12-15,17H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 415 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50186989
(4-(1-methyl-2,4-dioxo-3-propyl-2,3,4,5-tetrahydro-...)Show SMILES CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccn1 Show InChI InChI=1S/C23H25N5O4S/c1-3-14-28-22(29)21-20(27(2)23(28)30)15-19(26-21)16-7-9-18(10-8-16)33(31,32)25-13-11-17-6-4-5-12-24-17/h4-10,12,15,25-26H,3,11,13-14H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 844 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50186979
(4-((4-(4-(1-methyl-2,4-dioxo-3-propyl-2,3,4,5-tetr...)Show SMILES CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)C#N)CC1 Show InChI InChI=1S/C28H30N6O4S/c1-3-12-34-27(35)26-25(31(2)28(34)36)17-24(30-26)22-8-10-23(11-9-22)39(37,38)33-15-13-32(14-16-33)19-21-6-4-20(18-29)5-7-21/h4-11,17,30H,3,12-16,19H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50186976
(4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-py...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)Nc1ccccn1 Show InChI InChI=1S/C19H17N5O4S/c1-23-15-11-14(21-17(15)18(25)24(2)19(23)26)12-6-8-13(9-7-12)29(27,28)22-16-5-3-4-10-20-16/h3-11,21H,1-2H3,(H,20,22) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50186987
(CHEMBL209944 | N-(1-benzylpiperidin-4-yl)-4-(2,4-d...)Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C30H37N5O4S/c1-3-16-34-27-20-26(31-28(27)29(36)35(17-4-2)30(34)37)23-10-12-25(13-11-23)40(38,39)32-24-14-18-33(19-15-24)21-22-8-6-5-7-9-22/h5-13,20,24,31-32H,3-4,14-19,21H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50186986
(4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-py...)Show SMILES COc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cc3n(C)c(=O)n(C)c(=O)c3[nH]2)cn1 Show InChI InChI=1S/C20H19N5O5S/c1-24-16-10-15(22-18(16)19(26)25(2)20(24)27)12-4-7-14(8-5-12)31(28,29)23-13-6-9-17(30-3)21-11-13/h4-11,22-23H,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50186984
(4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-py...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccn1 Show InChI InChI=1S/C21H21N5O4S/c1-25-18-13-17(24-19(18)20(27)26(2)21(25)28)14-6-8-16(9-7-14)31(29,30)23-12-10-15-5-3-4-11-22-15/h3-9,11,13,23-24H,10,12H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50186988
(6-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1,3-d...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H27N5O4S/c1-27-22-16-21(26-23(22)24(31)28(2)25(27)32)19-8-10-20(11-9-19)35(33,34)30-14-12-29(13-15-30)17-18-6-4-3-5-7-18/h3-11,16,26H,12-15,17H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50186974
(CHEMBL210969 | N-(1-(4-fluorobenzyl)piperidin-4-yl...)Show SMILES CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C28H32FN5O4S/c1-3-33-25-17-24(30-26(25)27(35)34(4-2)28(33)36)20-7-11-23(12-8-20)39(37,38)31-22-13-15-32(16-14-22)18-19-5-9-21(29)10-6-19/h5-12,17,22,30-31H,3-4,13-16,18H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50186973
(6-(4-(4-((5-chlorothiophen-2-yl)methyl)piperazin-1...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Cl)s2)CC1 Show InChI InChI=1S/C23H24ClN5O4S2/c1-26-19-13-18(25-21(19)22(30)27(2)23(26)31)15-3-6-17(7-4-15)35(32,33)29-11-9-28(10-12-29)14-16-5-8-20(24)34-16/h3-8,13,25H,9-12,14H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50186981
(4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-py...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCOc1ccccn1 Show InChI InChI=1S/C21H21N5O5S/c1-25-17-13-16(24-19(17)20(27)26(2)21(25)28)14-6-8-15(9-7-14)32(29,30)23-11-12-31-18-5-3-4-10-22-18/h3-10,13,23-24H,11-12H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50186985
(CHEMBL212528 | N-((5-methoxypyridin-2-yl)methyl)-4...)Show SMILES CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCc1ccc(OC)cn1 Show InChI InChI=1S/C23H25N5O5S/c1-4-11-28-22(29)21-20(27(2)23(28)30)12-19(26-21)15-5-9-18(10-6-15)34(31,32)25-13-16-7-8-17(33-3)14-24-16/h5-10,12,14,25-26H,4,11,13H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50186977
(6-(4-(4-(3-fluorobenzyl)piperazin-1-ylsulfonyl)phe...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1 Show InChI InChI=1S/C25H26FN5O4S/c1-28-22-15-21(27-23(22)24(32)29(2)25(28)33)18-6-8-20(9-7-18)36(34,35)31-12-10-30(11-13-31)16-17-4-3-5-19(26)14-17/h3-9,14-15,27H,10-13,16H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50186980
(6-(4-{[4-(4-bromobenzyl)piperazin-1-yl]sulfonyl}ph...)Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Br)cc2)CC1 Show InChI InChI=1S/C25H26BrN5O4S/c1-28-22-15-21(27-23(22)24(32)29(2)25(28)33)18-5-9-20(10-6-18)36(34,35)31-13-11-30(12-14-31)16-17-3-7-19(26)8-4-17/h3-10,15,27H,11-14,16H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50186983
(6-(4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-...)Show SMILES CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C28H31N5O6S/c1-3-10-33-23-16-22(29-26(23)27(34)30(2)28(33)35)20-5-7-21(8-6-20)40(36,37)32-13-11-31(12-14-32)17-19-4-9-24-25(15-19)39-18-38-24/h4-9,15-16,29H,3,10-14,17-18H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50186993
(4-(1,3-diethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyr...)Show SMILES CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccn1 Show InChI InChI=1S/C23H25N5O4S/c1-3-27-20-15-19(26-21(20)22(29)28(4-2)23(27)30)16-8-10-18(11-9-16)33(31,32)25-14-12-17-7-5-6-13-24-17/h5-11,13,15,25-26H,3-4,12,14H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50186978
(6-(4-(4-(3-fluorobenzyl)piperazin-1-ylsulfonyl)phe...)Show SMILES CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1 Show InChI InChI=1S/C27H30FN5O4S/c1-3-32-24-17-23(29-25(24)26(34)33(4-2)27(32)35)20-8-10-22(11-9-20)38(36,37)31-14-12-30(13-15-31)18-19-6-5-7-21(28)16-19/h5-11,16-17,29H,3-4,12-15,18H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50186975
(4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-py...)Show SMILES COc1ccc(CNS(=O)(=O)c2ccc(cc2)-c2cc3n(C)c(=O)n(C)c(=O)c3[nH]2)nc1 Show InChI InChI=1S/C21H21N5O5S/c1-25-18-10-17(24-19(18)20(27)26(2)21(25)28)13-4-8-16(9-5-13)32(29,30)23-11-14-6-7-15(31-3)12-22-14/h4-10,12,23-24H,11H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.81E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 16: 3642-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.074
BindingDB Entry DOI: 10.7270/Q28P603M |
More data for this
Ligand-Target Pair | |
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