Found 79 hits with Last Name = 'campos' and Initial = 'f' 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 A3
(Homo sapiens (Human)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| Purchase
CHEMBL
MCE
MMDB
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PC sid
PDB
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NECA binding to human adenosine A3 receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50150767
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(O)cc3)nc12 Show InChI InChI=1S/C21H26N10O5/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(36-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-32)7-10-3-5-12(33)6-4-10/h3-6,9,11,14-16,20,32-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to human adenosine A2A receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50150765
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-bromo-phenyl)...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12 Show InChI InChI=1S/C21H25BrN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to human adenosine A2A receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50150762
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(OC)cc3)nc12 Show InChI InChI=1S/C22H28N10O5/c1-3-32-29-19(28-30-32)17-15(34)16(35)21(37-17)31-10-24-14-18(23)26-22(27-20(14)31)25-12(9-33)8-11-4-6-13(36-2)7-5-11/h4-7,10,12,15-17,21,33-35H,3,8-9H2,1-2H3,(H3,23,25,26,27)/t12-,15-,16+,17-,21+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to human adenosine A2A receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50150766
((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 Show InChI InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to human adenosine A2A receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50150764
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(cc3)[N+]([O-])=O)nc12 Show InChI InChI=1S/C21H25N11O6/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(38-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-33)7-10-3-5-12(6-4-10)32(36)37/h3-6,9,11,14-16,20,33-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to human adenosine A2A receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM35804
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to human adenosine A2A receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM35804
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NECA binding to human adenosine A3 receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50150765
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-bromo-phenyl)...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12 Show InChI InChI=1S/C21H25BrN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NECA binding to human adenosine A3 receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50150766
((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 Show InChI InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NECA binding to human adenosine A3 receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to human adenosine A2A receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50150762
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(OC)cc3)nc12 Show InChI InChI=1S/C22H28N10O5/c1-3-32-29-19(28-30-32)17-15(34)16(35)21(37-17)31-10-24-14-18(23)26-22(27-20(14)31)25-12(9-33)8-11-4-6-13(36-2)7-5-11/h4-7,10,12,15-17,21,33-35H,3,8-9H2,1-2H3,(H3,23,25,26,27)/t12-,15-,16+,17-,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NECA binding to human adenosine A3 receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50150767
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(O)cc3)nc12 Show InChI InChI=1S/C21H26N10O5/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(36-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-32)7-10-3-5-12(33)6-4-10/h3-6,9,11,14-16,20,32-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NECA binding to human adenosine A3 receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50150763
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-chloro-phenyl...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Cl)cc3)nc12 Show InChI InChI=1S/C21H25ClN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]ZM-241385 binding to human adenosine A2A receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50150763
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-chloro-phenyl...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Cl)cc3)nc12 Show InChI InChI=1S/C21H25ClN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
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PC sid
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| Article
PubMed
| 288 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NECA binding to human adenosine A3 receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM35804
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50150765
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-bromo-phenyl)...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12 Show InChI InChI=1S/C21H25BrN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50150766
((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 Show InChI InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 369 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50150764
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(cc3)[N+]([O-])=O)nc12 Show InChI InChI=1S/C21H25N11O6/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(38-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-33)7-10-3-5-12(6-4-10)32(36)37/h3-6,9,11,14-16,20,33-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NECA binding to human adenosine A3 receptor expressed in HeLa cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50150767
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(O)cc3)nc12 Show InChI InChI=1S/C21H26N10O5/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(36-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-32)7-10-3-5-12(33)6-4-10/h3-6,9,11,14-16,20,32-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50150767
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(O)cc3)nc12 Show InChI InChI=1S/C21H26N10O5/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(36-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-32)7-10-3-5-12(33)6-4-10/h3-6,9,11,14-16,20,32-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 624 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]DPCPX binding to human adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50150763
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-chloro-phenyl...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Cl)cc3)nc12 Show InChI InChI=1S/C21H25ClN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]DPCPX binding to human adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50150762
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(OC)cc3)nc12 Show InChI InChI=1S/C22H28N10O5/c1-3-32-29-19(28-30-32)17-15(34)16(35)21(37-17)31-10-24-14-18(23)26-22(27-20(14)31)25-12(9-33)8-11-4-6-13(36-2)7-5-11/h4-7,10,12,15-17,21,33-35H,3,8-9H2,1-2H3,(H3,23,25,26,27)/t12-,15-,16+,17-,21+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]DPCPX binding to human adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50150766
((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 Show InChI InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]DPCPX binding to human adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50150765
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-bromo-phenyl)...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12 Show InChI InChI=1S/C21H25BrN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]DPCPX binding to human adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50150763
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-chloro-phenyl...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Cl)cc3)nc12 Show InChI InChI=1S/C21H25ClN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]DPCPX binding to human adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50150764
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(cc3)[N+]([O-])=O)nc12 Show InChI InChI=1S/C21H25N11O6/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(38-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-33)7-10-3-5-12(6-4-10)32(36)37/h3-6,9,11,14-16,20,33-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]DPCPX binding to human adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50150764
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(cc3)[N+]([O-])=O)nc12 Show InChI InChI=1S/C21H25N11O6/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(38-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-33)7-10-3-5-12(6-4-10)32(36)37/h3-6,9,11,14-16,20,33-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50150762
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(OC)cc3)nc12 Show InChI InChI=1S/C22H28N10O5/c1-3-32-29-19(28-30-32)17-15(34)16(35)21(37-17)31-10-24-14-18(23)26-22(27-20(14)31)25-12(9-33)8-11-4-6-13(36-2)7-5-11/h4-7,10,12,15-17,21,33-35H,3,8-9H2,1-2H3,(H3,23,25,26,27)/t12-,15-,16+,17-,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM35804
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 | PDB
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| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]DPCPX binding to human adenosine A2B receptor expressed in HEK293 cells |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50565105
(CHEMBL4792974)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc3N(c4ccncc4)C(=O)c4cccnc4Oc3c2)ccc1Cl | PDB
Reactome pathway
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PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK8 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112443
BindingDB Entry DOI: 10.7270/Q2TF023Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50565104
(CHEMBL4788035)Show SMILES O=C(Nc1ccccc1)Nc1ccc2N(c3ccncc3)C(=O)c3cccnc3Oc2c1 | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK8 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112443
BindingDB Entry DOI: 10.7270/Q2TF023Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 19
(Homo sapiens (Human)) | BDBM50565105
(CHEMBL4792974)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc3N(c4ccncc4)C(=O)c4cccnc4Oc3c2)ccc1Cl | PDB
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| PDB
Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK19 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112443
BindingDB Entry DOI: 10.7270/Q2TF023Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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PC sid
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| PDB
Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK8 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112443
BindingDB Entry DOI: 10.7270/Q2TF023Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50565103
(CHEMBL4777657)Show SMILES Nc1cc(ccn1)N1c2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2Oc2ncccc2C1=O | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK8 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112443
BindingDB Entry DOI: 10.7270/Q2TF023Q |
More data for this
Ligand-Target Pair | |
Epithelial discoidin domain-containing receptor 1
(Homo sapiens (Human)) | BDBM50565105
(CHEMBL4792974)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc3N(c4ccncc4)C(=O)c4cccnc4Oc3c2)ccc1Cl | PDB
KEGG
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| Article
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| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of DDR1 (unknown origin) expressed in HEK293T cells assessed as reduction in collagen-induced DDR1 autophosphorylation |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112443
BindingDB Entry DOI: 10.7270/Q2TF023Q |
More data for this
Ligand-Target Pair | |
Epithelial discoidin domain-containing receptor 1
(Homo sapiens (Human)) | BDBM50565105
(CHEMBL4792974)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc3N(c4ccncc4)C(=O)c4cccnc4Oc3c2)ccc1Cl | PDB
KEGG
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| Article
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of DDR1 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112443
BindingDB Entry DOI: 10.7270/Q2TF023Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50565107
(CHEMBL4800453)Show SMILES Fc1ccccc1CNC(=O)Nc1ccc2N(c3ccncc3)C(=O)c3cccnc3Oc2c1 | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 324 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK8 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112443
BindingDB Entry DOI: 10.7270/Q2TF023Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50565117
(CHEMBL4780260)Show SMILES CNC(=O)c1cc(ccn1)N1c2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2Oc2ncccc2C1=O | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 361 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK8 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112443
BindingDB Entry DOI: 10.7270/Q2TF023Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50565109
(CHEMBL4796082)Show SMILES O=C(Nc1ccccc1)Nc1ccc2N(c3ccoc3)C(=O)c3cccnc3Oc2c1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 593 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK8 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112443
BindingDB Entry DOI: 10.7270/Q2TF023Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50565111
(CHEMBL4791801)Show SMILES O=C(Nc1ccccc1)Nc1ccc2N(c3ccncc3)C(=O)c3ccccc3Oc2c1 | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK8 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112443
BindingDB Entry DOI: 10.7270/Q2TF023Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50565105
(CHEMBL4792974)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc3N(c4ccncc4)C(=O)c4cccnc4Oc3c2)ccc1Cl | PDB
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PC sid
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| PDB
Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK8 in human SW-620 cells assessed as reduction in STAT1 phosphorylation at Ser727 residues measured after 8 hrs |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112443
BindingDB Entry DOI: 10.7270/Q2TF023Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50565110
(CHEMBL4784797)Show SMILES O=C(Nc1ccccc1)Nc1ccc2N(Cc3ccncc3)C(=O)c3cccnc3Oc2c1 | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK8 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112443
BindingDB Entry DOI: 10.7270/Q2TF023Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50565112
(CHEMBL4781614)Show SMILES O=C(Nc1ccc2N(c3ccncc3)C(=O)c3cccnc3Oc2c1)c1ccccc1 | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK8 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112443
BindingDB Entry DOI: 10.7270/Q2TF023Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50565113
(CHEMBL4782031)Show SMILES O=C(Cc1ccccc1)Nc1ccc2N(c3ccncc3)C(=O)c3cccnc3Oc2c1 | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK8 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112443
BindingDB Entry DOI: 10.7270/Q2TF023Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50565108
(CHEMBL4786534)Show SMILES O=C(Nc1ccccc1)Nc1ccc2N(c3cccnc3)C(=O)c3cccnc3Oc2c1 | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK8 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112443
BindingDB Entry DOI: 10.7270/Q2TF023Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50565106
(CHEMBL4784034)Show SMILES CCCNC(=O)Nc1ccc2N(c3ccncc3)C(=O)c3cccnc3Oc2c1 | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK8 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112443
BindingDB Entry DOI: 10.7270/Q2TF023Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50565115
(CHEMBL4794940)Show SMILES CC(C)(O)C(=O)Nc1ccc2N(c3ccncc3)C(=O)c3cccnc3Oc2c1 | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK8 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112443
BindingDB Entry DOI: 10.7270/Q2TF023Q |
More data for this
Ligand-Target Pair | |
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