Found 100 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)) | BDBM50336996
(CHEMBL1672631 | N-[6-(2-Fluorophenyl)-5-(3-fluorop...)Show InChI InChI=1S/C19H14F2N4O/c20-14-4-2-1-3-12(14)18-17(13-7-8-22-9-15(13)21)23-10-16(24-18)25-19(26)11-5-6-11/h1-4,7-11H,5-6H2,(H,24,25,26) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336991
(CHEMBL1672623 | N-[6-(2-Fluorophenyl)-5-pyridin-4-...)Show InChI InChI=1S/C19H15FN4O/c20-15-4-2-1-3-14(15)18-17(12-7-9-21-10-8-12)22-11-16(23-18)24-19(25)13-5-6-13/h1-4,7-11,13H,5-6H2,(H,23,24,25) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50336989
(CHEMBL1672619 | N-[6-(5-Methyl-2-furyl)-5-pyridin-...)Show InChI InChI=1S/C18H16N4O2/c1-11-2-5-14(24-11)17-16(12-6-8-19-9-7-12)20-10-15(21-17)22-18(23)13-3-4-13/h2,5-10,13H,3-4H2,1H3,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336980
(CHEMBL1672633 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...)Show InChI InChI=1S/C16H12FN5O2/c17-11-5-18-4-3-10(11)14-15(12-6-19-8-24-12)21-13(7-20-14)22-16(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336974
(CHEMBL1672611 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C17H14N4O2/c22-17(12-3-4-12)21-14-10-19-15(11-5-7-18-8-6-11)16(20-14)13-2-1-9-23-13/h1-2,5-10,12H,3-4H2,(H,20,21,22) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336989
(CHEMBL1672619 | N-[6-(5-Methyl-2-furyl)-5-pyridin-...)Show InChI InChI=1S/C18H16N4O2/c1-11-2-5-14(24-11)17-16(12-6-8-19-9-7-12)20-10-15(21-17)22-18(23)13-3-4-13/h2,5-10,13H,3-4H2,1H3,(H,21,22,23) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336985
(CHEMBL1672615 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C18H16N4O2/c23-18(13-3-1-4-13)22-15-11-20-16(12-6-8-19-9-7-12)17(21-15)14-5-2-10-24-14/h2,5-11,13H,1,3-4H2,(H,21,22,23) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336983
(CHEMBL1672613 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C16H14N4O2/c1-2-14(21)19-13-10-18-15(11-5-7-17-8-6-11)16(20-13)12-4-3-9-22-12/h3-10H,2H2,1H3,(H,19,20,21) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336982
(CHEMBL1672612 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C15H12N4O2/c1-10(20)18-13-9-17-14(11-4-6-16-7-5-11)15(19-13)12-3-2-8-21-12/h2-9H,1H3,(H,18,19,20) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336979
(CHEMBL1672632 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...)Show InChI InChI=1S/C16H12FN5O2/c17-11-7-18-4-3-10(11)13-14(16-19-5-6-24-16)21-12(8-20-13)22-15(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336984
(CHEMBL1672614 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C17H16N4O2/c1-11(2)17(22)21-14-10-19-15(12-5-7-18-8-6-12)16(20-14)13-4-3-9-23-13/h3-11H,1-2H3,(H,20,21,22) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336990
(CHEMBL1672620 | N-(6-Pyridin-2-yl-5-pyridin-4-ylpy...)Show InChI InChI=1S/C18H15N5O/c24-18(13-4-5-13)23-15-11-21-16(12-6-9-19-10-7-12)17(22-15)14-3-1-2-8-20-14/h1-3,6-11,13H,4-5H2,(H,22,23,24) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336978
(CHEMBL1672630 | N-(5-(3-chloropyridin-4-yl)-6-(pyr...)Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-8-5-13(14)17-16(11-3-6-20-7-4-11)23-15(10-22-17)24-18(25)12-1-2-12/h3-10,12H,1-2H2,(H,23,24,25) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50336989
(CHEMBL1672619 | N-[6-(5-Methyl-2-furyl)-5-pyridin-...)Show InChI InChI=1S/C18H16N4O2/c1-11-2-5-14(24-11)17-16(12-6-8-19-9-7-12)20-10-15(21-17)22-18(23)13-3-4-13/h2,5-10,13H,3-4H2,1H3,(H,21,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336988
(2-Cyclopentyl-N-[6-(2-furyl)-5-pyridin-4-ylpyrazin...)Show SMILES O=C(CC1CCCC1)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1 Show InChI InChI=1S/C20H20N4O2/c25-18(12-14-4-1-2-5-14)23-17-13-22-19(15-7-9-21-10-8-15)20(24-17)16-6-3-11-26-16/h3,6-11,13-14H,1-2,4-5,12H2,(H,23,24,25) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336986
(CHEMBL1672616 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C19H18N4O2/c24-19(14-4-1-2-5-14)23-16-12-21-17(13-7-9-20-10-8-13)18(22-16)15-6-3-11-25-15/h3,6-12,14H,1-2,4-5H2,(H,22,23,24) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50336985
(CHEMBL1672615 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C18H16N4O2/c23-18(13-3-1-4-13)22-15-11-20-16(12-6-8-19-9-7-12)17(21-15)14-5-2-10-24-14/h2,5-11,13H,1,3-4H2,(H,21,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50336984
(CHEMBL1672614 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C17H16N4O2/c1-11(2)17(22)21-14-10-19-15(12-5-7-18-8-6-12)16(20-14)13-4-3-9-23-13/h3-11H,1-2H3,(H,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336977
(CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...)Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50336991
(CHEMBL1672623 | N-[6-(2-Fluorophenyl)-5-pyridin-4-...)Show InChI InChI=1S/C19H15FN4O/c20-15-4-2-1-3-14(15)18-17(12-7-9-21-10-8-12)22-11-16(23-18)24-19(25)13-5-6-13/h1-4,7-11,13H,5-6H2,(H,23,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336975
(CHEMBL1672621 | N-(6-Pyridin-3-yl-5-pyridin-4-ylpy...)Show InChI InChI=1S/C18H15N5O/c24-18(13-3-4-13)23-15-11-21-16(12-5-8-19-9-6-12)17(22-15)14-2-1-7-20-10-14/h1-2,5-11,13H,3-4H2,(H,22,23,24) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336981
(CHEMBL1672629 | N-[5-(3,5-Difluoropyridin-4-yl)-6-...)Show SMILES Fc1cncc(F)c1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1 |(-1.07,4.1,;-2.52,3.57,;-3.7,4.56,;-5.15,4.04,;-5.41,2.52,;-4.23,1.53,;-4.76,.08,;-2.79,2.06,;-1.25,.77,;.08,1.54,;1.41,.77,;1.41,-.77,;2.75,-1.54,;4.08,-.77,;5.41,-1.54,;4.08,.77,;4.85,2.1,;3.31,2.1,;.08,-1.54,;-1.25,-.77,;-2.79,-2.06,;-4.23,-1.53,;-5.41,-2.52,;-5.15,-4.04,;-3.7,-4.56,;-2.52,-3.57,)| Show InChI InChI=1S/C18H13F2N5O/c19-12-7-22-8-13(20)15(12)17-16(11-2-1-5-21-6-11)24-14(9-23-17)25-18(26)10-3-4-10/h1-2,5-10H,3-4H2,(H,24,25,26) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50336986
(CHEMBL1672616 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C19H18N4O2/c24-19(14-4-1-2-5-14)23-16-12-21-17(13-7-9-20-10-8-13)18(22-16)15-6-3-11-25-15/h3,6-12,14H,1-2,4-5H2,(H,22,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336994
(CHEMBL1672626 | N-[6-(2-Furyl)-5-pyrimidin-4-ylpyr...)Show InChI InChI=1S/C16H13N5O2/c22-16(10-3-4-10)21-13-8-18-14(11-5-6-17-9-19-11)15(20-13)12-2-1-7-23-12/h1-2,5-10H,3-4H2,(H,20,21,22) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336976
(CHEMBL1672622 | N-(5,6-Dipyridin-4-ylpyrazin-2-yl)...)Show InChI InChI=1S/C18H15N5O/c24-18(14-1-2-14)23-15-11-21-16(12-3-7-19-8-4-12)17(22-15)13-5-9-20-10-6-13/h3-11,14H,1-2H2,(H,22,23,24) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50336983
(CHEMBL1672613 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C16H14N4O2/c1-2-14(21)19-13-10-18-15(11-5-7-17-8-6-11)16(20-13)12-4-3-9-22-12/h3-10H,2H2,1H3,(H,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336993
(CHEMBL1672625 | N-[6-(1,3-Oxazol-5-yl)-5-pyridin-4...)Show InChI InChI=1S/C16H13N5O2/c22-16(11-1-2-11)21-13-8-19-14(10-3-5-17-6-4-10)15(20-13)12-7-18-9-23-12/h3-9,11H,1-2H2,(H,20,21,22) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50336974
(CHEMBL1672611 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C17H14N4O2/c22-17(12-3-4-12)21-14-10-19-15(11-5-7-18-8-6-11)16(20-14)13-2-1-9-23-13/h1-2,5-10,12H,3-4H2,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50336991
(CHEMBL1672623 | N-[6-(2-Fluorophenyl)-5-pyridin-4-...)Show InChI InChI=1S/C19H15FN4O/c20-15-4-2-1-3-14(15)18-17(12-7-9-21-10-8-12)22-11-16(23-18)24-19(25)13-5-6-13/h1-4,7-11,13H,5-6H2,(H,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50336974
(CHEMBL1672611 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C17H14N4O2/c22-17(12-3-4-12)21-14-10-19-15(11-5-7-18-8-6-11)16(20-14)13-2-1-9-23-13/h1-2,5-10,12H,3-4H2,(H,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50336983
(CHEMBL1672613 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C16H14N4O2/c1-2-14(21)19-13-10-18-15(11-5-7-17-8-6-11)16(20-13)12-4-3-9-22-12/h3-10H,2H2,1H3,(H,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336992
(CHEMBL1672624 | N-(6-(oxazol-2-yl)-5-(pyridin-4-yl...)Show InChI InChI=1S/C16H13N5O2/c22-15(11-1-2-11)21-12-9-19-13(10-3-5-17-6-4-10)14(20-12)16-18-7-8-23-16/h3-9,11H,1-2H2,(H,20,21,22) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336987
(4-Fluoro-N-[6-(2-furyl)-5-pyridin-4-ylpyrazin-2-yl...)Show SMILES Fc1ccc(cc1)C(=O)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1 Show InChI InChI=1S/C20H13FN4O2/c21-15-5-3-14(4-6-15)20(26)25-17-12-23-18(13-7-9-22-10-8-13)19(24-17)16-2-1-11-27-16/h1-12H,(H,24,25,26) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336995
(CHEMBL1672628 | N-[5-(3-Chloropyridin-4-yl)-6-pyri...)Show InChI InChI=1S/C18H14ClN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50336988
(2-Cyclopentyl-N-[6-(2-furyl)-5-pyridin-4-ylpyrazin...)Show SMILES O=C(CC1CCCC1)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1 Show InChI InChI=1S/C20H20N4O2/c25-18(12-14-4-1-2-5-14)23-17-13-22-19(15-7-9-21-10-8-15)20(24-17)16-6-3-11-26-16/h3,6-11,13-14H,1-2,4-5,12H2,(H,23,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50336996
(CHEMBL1672631 | N-[6-(2-Fluorophenyl)-5-(3-fluorop...)Show InChI InChI=1S/C19H14F2N4O/c20-14-4-2-1-3-12(14)18-17(13-7-8-22-9-15(13)21)23-10-16(24-18)25-19(26)11-5-6-11/h1-4,7-11H,5-6H2,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50336988
(2-Cyclopentyl-N-[6-(2-furyl)-5-pyridin-4-ylpyrazin...)Show SMILES O=C(CC1CCCC1)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1 Show InChI InChI=1S/C20H20N4O2/c25-18(12-14-4-1-2-5-14)23-17-13-22-19(15-7-9-21-10-8-15)20(24-17)16-6-3-11-26-16/h3,6-11,13-14H,1-2,4-5,12H2,(H,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50336994
(CHEMBL1672626 | N-[6-(2-Furyl)-5-pyrimidin-4-ylpyr...)Show InChI InChI=1S/C16H13N5O2/c22-16(10-3-4-10)21-13-8-18-14(11-5-6-17-9-19-11)15(20-13)12-2-1-7-23-12/h1-2,5-10H,3-4H2,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 111 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50336996
(CHEMBL1672631 | N-[6-(2-Fluorophenyl)-5-(3-fluorop...)Show InChI InChI=1S/C19H14F2N4O/c20-14-4-2-1-3-12(14)18-17(13-7-8-22-9-15(13)21)23-10-16(24-18)25-19(26)11-5-6-11/h1-4,7-11H,5-6H2,(H,24,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50336985
(CHEMBL1672615 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C18H16N4O2/c23-18(13-3-1-4-13)22-15-11-20-16(12-6-8-19-9-7-12)17(21-15)14-5-2-10-24-14/h2,5-11,13H,1,3-4H2,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50336986
(CHEMBL1672616 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C19H18N4O2/c24-19(14-4-1-2-5-14)23-16-12-21-17(13-7-9-20-10-8-13)18(22-16)15-6-3-11-25-15/h3,6-12,14H,1-2,4-5H2,(H,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 145 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50336984
(CHEMBL1672614 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C17H16N4O2/c1-11(2)17(22)21-14-10-19-15(12-5-7-18-8-6-12)16(20-14)13-4-3-9-23-13/h3-11H,1-2H3,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 197 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50336975
(CHEMBL1672621 | N-(6-Pyridin-3-yl-5-pyridin-4-ylpy...)Show InChI InChI=1S/C18H15N5O/c24-18(13-3-4-13)23-15-11-21-16(12-5-8-19-9-6-12)17(22-15)14-2-1-7-20-10-14/h1-2,5-11,13H,3-4H2,(H,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 312 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50336976
(CHEMBL1672622 | N-(5,6-Dipyridin-4-ylpyrazin-2-yl)...)Show InChI InChI=1S/C18H15N5O/c24-18(14-1-2-14)23-15-11-21-16(12-3-7-19-8-4-12)17(22-15)13-5-9-20-10-6-13/h3-11,14H,1-2H2,(H,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 312 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50336990
(CHEMBL1672620 | N-(6-Pyridin-2-yl-5-pyridin-4-ylpy...)Show InChI InChI=1S/C18H15N5O/c24-18(13-4-5-13)23-15-11-21-16(12-6-9-19-10-7-12)17(22-15)14-3-1-2-8-20-14/h1-3,6-11,13H,4-5H2,(H,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 312 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50336990
(CHEMBL1672620 | N-(6-Pyridin-2-yl-5-pyridin-4-ylpy...)Show InChI InChI=1S/C18H15N5O/c24-18(13-4-5-13)23-15-11-21-16(12-6-9-19-10-7-12)17(22-15)14-3-1-2-8-20-14/h1-3,6-11,13H,4-5H2,(H,22,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 312 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50336991
(CHEMBL1672623 | N-[6-(2-Fluorophenyl)-5-pyridin-4-...)Show InChI InChI=1S/C19H15FN4O/c20-15-4-2-1-3-14(15)18-17(12-7-9-21-10-8-12)22-11-16(23-18)24-19(25)13-5-6-13/h1-4,7-11,13H,5-6H2,(H,23,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 326 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells after 3 hrs by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50336989
(CHEMBL1672619 | N-[6-(5-Methyl-2-furyl)-5-pyridin-...)Show InChI InChI=1S/C18H16N4O2/c1-11-2-5-14(24-11)17-16(12-6-8-19-9-7-12)20-10-15(21-17)22-18(23)13-3-4-13/h2,5-10,13H,3-4H2,1H3,(H,21,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells after 3 hrs by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50336983
(CHEMBL1672613 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C16H14N4O2/c1-2-14(21)19-13-10-18-15(11-5-7-17-8-6-11)16(20-13)12-4-3-9-22-12/h3-10H,2H2,1H3,(H,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 373 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells after 3 hrs by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50336974
(CHEMBL1672611 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C17H14N4O2/c22-17(12-3-4-12)21-14-10-19-15(11-5-7-18-8-6-11)16(20-14)13-2-1-9-23-13/h1-2,5-10,12H,3-4H2,(H,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells after 3 hrs by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50336979
(CHEMBL1672632 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...)Show InChI InChI=1S/C16H12FN5O2/c17-11-7-18-4-3-10(11)13-14(16-19-5-6-24-16)21-12(8-20-13)22-15(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 408 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50336982
(CHEMBL1672612 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C15H12N4O2/c1-10(20)18-13-9-17-14(11-4-6-16-7-5-11)15(19-13)12-3-2-8-21-12/h2-9H,1H3,(H,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 454 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50336993
(CHEMBL1672625 | N-[6-(1,3-Oxazol-5-yl)-5-pyridin-4...)Show InChI InChI=1S/C16H13N5O2/c22-16(11-1-2-11)21-13-8-19-14(10-3-5-17-6-4-10)15(20-13)12-7-18-9-23-12/h3-9,11H,1-2H2,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 634 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50336978
(CHEMBL1672630 | N-(5-(3-chloropyridin-4-yl)-6-(pyr...)Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-8-5-13(14)17-16(11-3-6-20-7-4-11)23-15(10-22-17)24-18(25)12-1-2-12/h3-10,12H,1-2H2,(H,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50336982
(CHEMBL1672612 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C15H12N4O2/c1-10(20)18-13-9-17-14(11-4-6-16-7-5-11)15(19-13)12-3-2-8-21-12/h2-9H,1H3,(H,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 727 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50336992
(CHEMBL1672624 | N-(6-(oxazol-2-yl)-5-(pyridin-4-yl...)Show InChI InChI=1S/C16H13N5O2/c22-15(11-1-2-11)21-12-9-19-13(10-3-5-17-6-4-10)14(20-12)16-18-7-8-23-16/h3-9,11H,1-2H2,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 879 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50336979
(CHEMBL1672632 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...)Show InChI InChI=1S/C16H12FN5O2/c17-11-7-18-4-3-10(11)13-14(16-19-5-6-24-16)21-12(8-20-13)22-15(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells after 3 hrs by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50336987
(4-Fluoro-N-[6-(2-furyl)-5-pyridin-4-ylpyrazin-2-yl...)Show SMILES Fc1ccc(cc1)C(=O)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1 Show InChI InChI=1S/C20H13FN4O2/c21-15-5-3-14(4-6-15)20(26)25-17-12-23-18(13-7-9-22-10-8-13)19(24-17)16-2-1-11-27-16/h1-12H,(H,24,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50336978
(CHEMBL1672630 | N-(5-(3-chloropyridin-4-yl)-6-(pyr...)Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-8-5-13(14)17-16(11-3-6-20-7-4-11)23-15(10-22-17)24-18(25)12-1-2-12/h3-10,12H,1-2H2,(H,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50336982
(CHEMBL1672612 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C15H12N4O2/c1-10(20)18-13-9-17-14(11-4-6-16-7-5-11)15(19-13)12-3-2-8-21-12/h2-9H,1H3,(H,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells after 3 hrs by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50336984
(CHEMBL1672614 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C17H16N4O2/c1-11(2)17(22)21-14-10-19-15(12-5-7-18-8-6-12)16(20-14)13-4-3-9-23-13/h3-11H,1-2H3,(H,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells after 3 hrs by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50336994
(CHEMBL1672626 | N-[6-(2-Furyl)-5-pyrimidin-4-ylpyr...)Show InChI InChI=1S/C16H13N5O2/c22-16(10-3-4-10)21-13-8-18-14(11-5-6-17-9-19-11)15(20-13)12-2-1-7-23-12/h1-2,5-10H,3-4H2,(H,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50336977
(CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...)Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50336986
(CHEMBL1672616 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C19H18N4O2/c24-19(14-4-1-2-5-14)23-16-12-21-17(13-7-9-20-10-8-13)18(22-16)15-6-3-11-25-15/h3,6-12,14H,1-2,4-5H2,(H,22,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells after 3 hrs by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50336985
(CHEMBL1672615 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C18H16N4O2/c23-18(13-3-1-4-13)22-15-11-20-16(12-6-8-19-9-7-12)17(21-15)14-5-2-10-24-14/h2,5-11,13H,1,3-4H2,(H,21,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells after 3 hrs by filtration binding assay |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50336977
(CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...)Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Antagonist activity at human adenosine A2B receptor expressed in HEK293 cells assessed as inhibition of NECA-induced increase of intracellular cAMP l... |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Mus musculus) | BDBM50336977
(CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...)Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 512 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Antagonist activity at mouse adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced increase of intracellular cAMP leve... |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50336978
(CHEMBL1672630 | N-(5-(3-chloropyridin-4-yl)-6-(pyr...)Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-8-5-13(14)17-16(11-3-6-20-7-4-11)23-15(10-22-17)24-18(25)12-1-2-12/h3-10,12H,1-2H2,(H,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50336979
(CHEMBL1672632 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...)Show InChI InChI=1S/C16H12FN5O2/c17-11-7-18-4-3-10(11)13-14(16-19-5-6-24-16)21-12(8-20-13)22-15(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50336981
(CHEMBL1672629 | N-[5-(3,5-Difluoropyridin-4-yl)-6-...)Show SMILES Fc1cncc(F)c1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1 |(-1.07,4.1,;-2.52,3.57,;-3.7,4.56,;-5.15,4.04,;-5.41,2.52,;-4.23,1.53,;-4.76,.08,;-2.79,2.06,;-1.25,.77,;.08,1.54,;1.41,.77,;1.41,-.77,;2.75,-1.54,;4.08,-.77,;5.41,-1.54,;4.08,.77,;4.85,2.1,;3.31,2.1,;.08,-1.54,;-1.25,-.77,;-2.79,-2.06,;-4.23,-1.53,;-5.41,-2.52,;-5.15,-4.04,;-3.7,-4.56,;-2.52,-3.57,)| Show InChI InChI=1S/C18H13F2N5O/c19-12-7-22-8-13(20)15(12)17-16(11-2-1-5-21-6-11)24-14(9-23-17)25-18(26)10-3-4-10/h1-2,5-10H,3-4H2,(H,24,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50336976
(CHEMBL1672622 | N-(5,6-Dipyridin-4-ylpyrazin-2-yl)...)Show InChI InChI=1S/C18H15N5O/c24-18(14-1-2-14)23-15-11-21-16(12-3-7-19-8-4-12)17(22-15)13-5-9-20-10-6-13/h3-11,14H,1-2H2,(H,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50336974
(CHEMBL1672611 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C17H14N4O2/c22-17(12-3-4-12)21-14-10-19-15(11-5-7-18-8-6-11)16(20-14)13-2-1-9-23-13/h1-2,5-10,12H,3-4H2,(H,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50336976
(CHEMBL1672622 | N-(5,6-Dipyridin-4-ylpyrazin-2-yl)...)Show InChI InChI=1S/C18H15N5O/c24-18(14-1-2-14)23-15-11-21-16(12-3-7-19-8-4-12)17(22-15)13-5-9-20-10-6-13/h3-11,14H,1-2H2,(H,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50336977
(CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...)Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50336975
(CHEMBL1672621 | N-(6-Pyridin-3-yl-5-pyridin-4-ylpy...)Show InChI InChI=1S/C18H15N5O/c24-18(13-3-4-13)23-15-11-21-16(12-5-8-19-9-6-12)17(22-15)14-2-1-7-20-10-14/h1-2,5-11,13H,3-4H2,(H,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50336980
(CHEMBL1672633 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...)Show InChI InChI=1S/C16H12FN5O2/c17-11-5-18-4-3-10(11)14-15(12-6-19-8-24-12)21-13(7-20-14)22-16(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50336974
(CHEMBL1672611 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C17H14N4O2/c22-17(12-3-4-12)21-14-10-19-15(11-5-7-18-8-6-11)16(20-14)13-2-1-9-23-13/h1-2,5-10,12H,3-4H2,(H,20,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50336974
(CHEMBL1672611 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C17H14N4O2/c22-17(12-3-4-12)21-14-10-19-15(11-5-7-18-8-6-11)16(20-14)13-2-1-9-23-13/h1-2,5-10,12H,3-4H2,(H,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50336974
(CHEMBL1672611 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C17H14N4O2/c22-17(12-3-4-12)21-14-10-19-15(11-5-7-18-8-6-11)16(20-14)13-2-1-9-23-13/h1-2,5-10,12H,3-4H2,(H,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | <5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50336977
(CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...)Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50336980
(CHEMBL1672633 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...)Show InChI InChI=1S/C16H12FN5O2/c17-11-5-18-4-3-10(11)14-15(12-6-19-8-24-12)21-13(7-20-14)22-16(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50336976
(CHEMBL1672622 | N-(5,6-Dipyridin-4-ylpyrazin-2-yl)...)Show InChI InChI=1S/C18H15N5O/c24-18(14-1-2-14)23-15-11-21-16(12-3-7-19-8-4-12)17(22-15)13-5-9-20-10-6-13/h3-11,14H,1-2H2,(H,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50336979
(CHEMBL1672632 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...)Show InChI InChI=1S/C16H12FN5O2/c17-11-7-18-4-3-10(11)13-14(16-19-5-6-24-16)21-12(8-20-13)22-15(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50336981
(CHEMBL1672629 | N-[5-(3,5-Difluoropyridin-4-yl)-6-...)Show SMILES Fc1cncc(F)c1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1 |(-1.07,4.1,;-2.52,3.57,;-3.7,4.56,;-5.15,4.04,;-5.41,2.52,;-4.23,1.53,;-4.76,.08,;-2.79,2.06,;-1.25,.77,;.08,1.54,;1.41,.77,;1.41,-.77,;2.75,-1.54,;4.08,-.77,;5.41,-1.54,;4.08,.77,;4.85,2.1,;3.31,2.1,;.08,-1.54,;-1.25,-.77,;-2.79,-2.06,;-4.23,-1.53,;-5.41,-2.52,;-5.15,-4.04,;-3.7,-4.56,;-2.52,-3.57,)| Show InChI InChI=1S/C18H13F2N5O/c19-12-7-22-8-13(20)15(12)17-16(11-2-1-5-21-6-11)24-14(9-23-17)25-18(26)10-3-4-10/h1-2,5-10H,3-4H2,(H,24,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50336975
(CHEMBL1672621 | N-(6-Pyridin-3-yl-5-pyridin-4-ylpy...)Show InChI InChI=1S/C18H15N5O/c24-18(13-3-4-13)23-15-11-21-16(12-5-8-19-9-6-12)17(22-15)14-2-1-7-20-10-14/h1-2,5-11,13H,3-4H2,(H,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50336980
(CHEMBL1672633 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...)Show InChI InChI=1S/C16H12FN5O2/c17-11-5-18-4-3-10(11)14-15(12-6-19-8-24-12)21-13(7-20-14)22-16(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50336981
(CHEMBL1672629 | N-[5-(3,5-Difluoropyridin-4-yl)-6-...)Show SMILES Fc1cncc(F)c1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1 |(-1.07,4.1,;-2.52,3.57,;-3.7,4.56,;-5.15,4.04,;-5.41,2.52,;-4.23,1.53,;-4.76,.08,;-2.79,2.06,;-1.25,.77,;.08,1.54,;1.41,.77,;1.41,-.77,;2.75,-1.54,;4.08,-.77,;5.41,-1.54,;4.08,.77,;4.85,2.1,;3.31,2.1,;.08,-1.54,;-1.25,-.77,;-2.79,-2.06,;-4.23,-1.53,;-5.41,-2.52,;-5.15,-4.04,;-3.7,-4.56,;-2.52,-3.57,)| Show InChI InChI=1S/C18H13F2N5O/c19-12-7-22-8-13(20)15(12)17-16(11-2-1-5-21-6-11)24-14(9-23-17)25-18(26)10-3-4-10/h1-2,5-10H,3-4H2,(H,24,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50336981
(CHEMBL1672629 | N-[5-(3,5-Difluoropyridin-4-yl)-6-...)Show SMILES Fc1cncc(F)c1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1 |(-1.07,4.1,;-2.52,3.57,;-3.7,4.56,;-5.15,4.04,;-5.41,2.52,;-4.23,1.53,;-4.76,.08,;-2.79,2.06,;-1.25,.77,;.08,1.54,;1.41,.77,;1.41,-.77,;2.75,-1.54,;4.08,-.77,;5.41,-1.54,;4.08,.77,;4.85,2.1,;3.31,2.1,;.08,-1.54,;-1.25,-.77,;-2.79,-2.06,;-4.23,-1.53,;-5.41,-2.52,;-5.15,-4.04,;-3.7,-4.56,;-2.52,-3.57,)| Show InChI InChI=1S/C18H13F2N5O/c19-12-7-22-8-13(20)15(12)17-16(11-2-1-5-21-6-11)24-14(9-23-17)25-18(26)10-3-4-10/h1-2,5-10H,3-4H2,(H,24,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50336974
(CHEMBL1672611 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)Show InChI InChI=1S/C17H14N4O2/c22-17(12-3-4-12)21-14-10-19-15(11-5-7-18-8-6-11)16(20-14)13-2-1-9-23-13/h1-2,5-10,12H,3-4H2,(H,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50336979
(CHEMBL1672632 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...)Show InChI InChI=1S/C16H12FN5O2/c17-11-7-18-4-3-10(11)13-14(16-19-5-6-24-16)21-12(8-20-13)22-15(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50336975
(CHEMBL1672621 | N-(6-Pyridin-3-yl-5-pyridin-4-ylpy...)Show InChI InChI=1S/C18H15N5O/c24-18(13-3-4-13)23-15-11-21-16(12-5-8-19-9-6-12)17(22-15)14-2-1-7-20-10-14/h1-2,5-11,13H,3-4H2,(H,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50336977
(CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...)Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50336978
(CHEMBL1672630 | N-(5-(3-chloropyridin-4-yl)-6-(pyr...)Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-8-5-13(14)17-16(11-3-6-20-7-4-11)23-15(10-22-17)24-18(25)12-1-2-12/h3-10,12H,1-2H2,(H,23,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50336980
(CHEMBL1672633 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...)Show InChI InChI=1S/C16H12FN5O2/c17-11-5-18-4-3-10(11)14-15(12-6-19-8-24-12)21-13(7-20-14)22-16(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50336978
(CHEMBL1672630 | N-(5-(3-chloropyridin-4-yl)-6-(pyr...)Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-8-5-13(14)17-16(11-3-6-20-7-4-11)23-15(10-22-17)24-18(25)12-1-2-12/h3-10,12H,1-2H2,(H,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50336976
(CHEMBL1672622 | N-(5,6-Dipyridin-4-ylpyrazin-2-yl)...)Show InChI InChI=1S/C18H15N5O/c24-18(14-1-2-14)23-15-11-21-16(12-3-7-19-8-4-12)17(22-15)13-5-9-20-10-6-13/h3-11,14H,1-2H2,(H,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50336977
(CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...)Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50336975
(CHEMBL1672621 | N-(6-Pyridin-3-yl-5-pyridin-4-ylpy...)Show InChI InChI=1S/C18H15N5O/c24-18(13-3-4-13)23-15-11-21-16(12-5-8-19-9-6-12)17(22-15)14-2-1-7-20-10-14/h1-2,5-11,13H,3-4H2,(H,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50336978
(CHEMBL1672630 | N-(5-(3-chloropyridin-4-yl)-6-(pyr...)Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-8-5-13(14)17-16(11-3-6-20-7-4-11)23-15(10-22-17)24-18(25)12-1-2-12/h3-10,12H,1-2H2,(H,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50336980
(CHEMBL1672633 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...)Show InChI InChI=1S/C16H12FN5O2/c17-11-5-18-4-3-10(11)14-15(12-6-19-8-24-12)21-13(7-20-14)22-16(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes |
ACS Med Chem Lett 2: 213-218 (2011)
Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10 |
More data for this Ligand-Target Pair | |