Found 54 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 |
|---|
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379165
(CHEMBL2010847)Show SMILES CO[C@H]1CN(Cc2ccc(cc2)C(F)(F)F)CC[C@H]1N(C)C(=O)Cc1ccc(cc1)-n1cnnn1 |r| Show InChI InChI=1S/C24H27F3N6O2/c1-31(23(34)13-17-5-9-20(10-6-17)33-16-28-29-30-33)21-11-12-32(15-22(21)35-2)14-18-3-7-19(8-4-18)24(25,26)27/h3-10,16,21-22H,11-15H2,1-2H3/t21-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379175
(CHEMBL2010836)Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379170
(CHEMBL2010842)Show SMILES CN(C1CCN(Cc2nc3cc(F)ccc3s2)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C23H24FN7OS/c1-29(23(32)12-16-2-5-19(6-3-16)31-15-25-27-28-31)18-8-10-30(11-9-18)14-22-26-20-13-17(24)4-7-21(20)33-22/h2-7,13,15,18H,8-12,14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379158
(CHEMBL2010837)Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C22H25F3N2O/c1-26(21(28)15-17-5-3-2-4-6-17)20-11-13-27(14-12-20)16-18-7-9-19(10-8-18)22(23,24)25/h2-10,20H,11-16H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379167
(CHEMBL2010845)Show SMILES CN([C@@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1 |r| Show InChI InChI=1S/C23H24F4N6O/c1-31(22(34)12-16-4-8-19(9-5-16)33-15-28-29-30-33)21-10-11-32(14-20(21)24)13-17-2-6-18(7-3-17)23(25,26)27/h2-9,15,20-21H,10-14H2,1H3/t20-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379166
(CHEMBL2010846)Show SMILES CO[C@@H]1CN(Cc2ccc(cc2)C(F)(F)F)CC[C@@H]1N(C)C(=O)Cc1ccc(cc1)-n1cnnn1 |r| Show InChI InChI=1S/C24H27F3N6O2/c1-31(23(34)13-17-5-9-20(10-6-17)33-16-28-29-30-33)21-11-12-32(15-22(21)35-2)14-18-3-7-19(8-4-18)24(25,26)27/h3-10,16,21-22H,11-15H2,1-2H3/t21-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379177
(CHEMBL2010834)Show SMILES CNC(=O)c1ccc(CC(=O)N(C)C2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cc1 Show InChI InChI=1S/C24H28F3N3O2/c1-28-23(32)19-7-3-17(4-8-19)15-22(31)29(2)21-11-13-30(14-12-21)16-18-5-9-20(10-6-18)24(25,26)27/h3-10,21H,11-16H2,1-2H3,(H,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379181
(CHEMBL2010830)Show SMILES CCN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C24H29F3N2O3S/c1-3-29(23(30)16-18-6-10-22(11-7-18)33(2,31)32)21-12-14-28(15-13-21)17-19-4-8-20(9-5-19)24(25,26)27/h4-11,21H,3,12-17H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379179
(CHEMBL2010832)Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1F)S(C)(=O)=O Show InChI InChI=1S/C23H26F4N2O3S/c1-28(22(30)13-17-5-8-20(14-21(17)24)33(2,31)32)19-9-11-29(12-10-19)15-16-3-6-18(7-4-16)23(25,26)27/h3-8,14,19H,9-13,15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379172
(CHEMBL2010840)Show SMILES CN(C1CCN(Cc2ccc(c(F)c2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C23H24F4N6O/c1-31(22(34)13-16-2-5-19(6-3-16)33-15-28-29-30-33)18-8-10-32(11-9-18)14-17-4-7-20(21(24)12-17)23(25,26)27/h2-7,12,15,18H,8-11,13-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379178
(CHEMBL2010833)Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(c(F)c1)S(C)(=O)=O Show InChI InChI=1S/C23H26F4N2O3S/c1-28(22(30)14-17-5-8-21(20(24)13-17)33(2,31)32)19-9-11-29(12-10-19)15-16-3-6-18(7-4-16)23(25,26)27/h3-8,13,19H,9-12,14-15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379180
(CHEMBL2010831)Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C23H27F3N2O3S/c1-27(22(29)15-17-5-9-21(10-6-17)32(2,30)31)20-11-13-28(14-12-20)16-18-3-7-19(8-4-18)23(24,25)26/h3-10,20H,11-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379168
(CHEMBL2010844)Show SMILES CN([C@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C[C@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1 |r| Show InChI InChI=1S/C23H24F4N6O/c1-31(22(34)12-16-4-8-19(9-5-16)33-15-28-29-30-33)21-10-11-32(14-20(21)24)13-17-2-6-18(7-3-17)23(25,26)27/h2-9,15,20-21H,10-14H2,1H3/t20-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379174
(CHEMBL2010838)Show SMILES CN(C1CCN(Cc2ccc(cn2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C22H24F3N7O/c1-30(21(33)12-16-2-6-20(7-3-16)32-15-27-28-29-32)19-8-10-31(11-9-19)14-18-5-4-17(13-26-18)22(23,24)25/h2-7,13,15,19H,8-12,14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379161
(CHEMBL2010851)Show SMILES CN([C@@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H26F4N2O3S/c1-28(22(30)13-16-5-9-19(10-6-16)33(2,31)32)21-11-12-29(15-20(21)24)14-17-3-7-18(8-4-17)23(25,26)27/h3-10,20-21H,11-15H2,1-2H3/t20-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379176
(CHEMBL2010835)Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C24H28F3N3O2/c1-17(31)28-21-9-5-18(6-10-21)15-23(32)29(2)22-11-13-30(14-12-22)16-19-3-7-20(8-4-19)24(25,26)27/h3-10,22H,11-16H2,1-2H3,(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379162
(CHEMBL2010850)Show SMILES CN([C@@H]1CCN(Cc2nc3cc(F)ccc3s2)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1 |r| Show InChI InChI=1S/C23H23F2N7OS/c1-30(23(33)10-15-2-5-17(6-3-15)32-14-26-28-29-32)20-8-9-31(12-18(20)25)13-22-27-19-11-16(24)4-7-21(19)34-22/h2-7,11,14,18,20H,8-10,12-13H2,1H3/t18-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379171
(CHEMBL2010841)Show SMILES CN(C1CCN(Cc2ccc(cc2)-c2noc(C)n2)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C25H28N8O2/c1-18-27-25(28-35-18)21-7-3-20(4-8-21)16-32-13-11-22(12-14-32)31(2)24(34)15-19-5-9-23(10-6-19)33-17-26-29-30-33/h3-10,17,22H,11-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379159
(CHEMBL2010853)Show SMILES CN([C@@H]1CCN(Cc2nc3cc(F)ccc3s2)C[C@@H]1F)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H25F2N3O3S2/c1-27(23(29)11-15-3-6-17(7-4-15)33(2,30)31)20-9-10-28(13-18(20)25)14-22-26-19-12-16(24)5-8-21(19)32-22/h3-8,12,18,20H,9-11,13-14H2,1-2H3/t18-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379169
(CHEMBL2010843)Show SMILES CN(C1CCN(Cc2nc3CCCCc3s2)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C23H29N7OS/c1-28(23(31)14-17-6-8-19(9-7-17)30-16-24-26-27-30)18-10-12-29(13-11-18)15-22-25-20-4-2-3-5-21(20)32-22/h6-9,16,18H,2-5,10-15H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379164
(CHEMBL2010848)Show SMILES CN([C@@H]1CCN(Cc2ccc(cn2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1 |r| Show InChI InChI=1S/C22H23F4N7O/c1-31(21(34)10-15-2-6-18(7-3-15)33-14-28-29-30-33)20-8-9-32(13-19(20)23)12-17-5-4-16(11-27-17)22(24,25)26/h2-7,11,14,19-20H,8-10,12-13H2,1H3/t19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379173
(CHEMBL2010839)Show SMILES CN(C1CCN(Cc2ccc(nc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C22H24F3N7O/c1-30(21(33)12-16-2-5-19(6-3-16)32-15-27-28-29-32)18-8-10-31(11-9-18)14-17-4-7-20(26-13-17)22(23,24)25/h2-7,13,15,18H,8-12,14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379163
(CHEMBL2010849)Show SMILES CN([C@@H]1CCN(Cc2ccc(nc2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1 |r| Show InChI InChI=1S/C22H23F4N7O/c1-31(21(34)10-15-2-5-17(6-3-15)33-14-28-29-30-33)19-8-9-32(13-18(19)23)12-16-4-7-20(27-11-16)22(24,25)26/h2-7,11,14,18-19H,8-10,12-13H2,1H3/t18-,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50379160
(CHEMBL2010852)Show SMILES CN([C@@H]1CCN(Cc2nc3ccccc3s2)C[C@@H]1F)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H26FN3O3S2/c1-26(23(28)13-16-7-9-17(10-8-16)32(2,29)30)20-11-12-27(14-18(20)24)15-22-25-19-5-3-4-6-21(19)31-22/h3-10,18,20H,11-15H2,1-2H3/t18-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50379175
(CHEMBL2010836)Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3 | 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 |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 by HTRF assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50379175
(CHEMBL2010836)Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3 | 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 |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 by HTRF assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50379175
(CHEMBL2010836)Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3 | 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 |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 by HTRF assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50379175
(CHEMBL2010836)Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3 | 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 |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 by HTRF assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50379175
(CHEMBL2010836)Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3 | 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 |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 by HTRF assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379176
(CHEMBL2010835)Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C24H28F3N3O2/c1-17(31)28-21-9-5-18(6-10-21)15-23(32)29(2)22-11-13-30(14-12-22)16-19-3-7-20(8-4-19)24(25,26)27/h3-10,22H,11-16H2,1-2H3,(H,28,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 535 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379163
(CHEMBL2010849)Show SMILES CN([C@@H]1CCN(Cc2ccc(nc2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1 |r| Show InChI InChI=1S/C22H23F4N7O/c1-31(21(34)10-15-2-5-17(6-3-15)33-14-28-29-30-33)19-8-9-32(13-18(19)23)12-16-4-7-20(27-11-16)22(24,25)26/h2-7,11,14,18-19H,8-10,12-13H2,1H3/t18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 485 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379162
(CHEMBL2010850)Show SMILES CN([C@@H]1CCN(Cc2nc3cc(F)ccc3s2)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1 |r| Show InChI InChI=1S/C23H23F2N7OS/c1-30(23(33)10-15-2-5-17(6-3-15)32-14-26-28-29-32)20-8-9-31(12-18(20)25)13-22-27-19-11-16(24)4-7-21(19)34-22/h2-7,11,14,18,20H,8-10,12-13H2,1H3/t18-,20+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379169
(CHEMBL2010843)Show SMILES CN(C1CCN(Cc2nc3CCCCc3s2)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C23H29N7OS/c1-28(23(31)14-17-6-8-19(9-7-17)30-16-24-26-27-30)18-10-12-29(13-11-18)15-22-25-20-4-2-3-5-21(20)32-22/h6-9,16,18H,2-5,10-15H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 396 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379168
(CHEMBL2010844)Show SMILES CN([C@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C[C@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1 |r| Show InChI InChI=1S/C23H24F4N6O/c1-31(22(34)12-16-4-8-19(9-5-16)33-15-28-29-30-33)21-10-11-32(14-20(21)24)13-17-2-6-18(7-3-17)23(25,26)27/h2-9,15,20-21H,10-14H2,1H3/t20-,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379161
(CHEMBL2010851)Show SMILES CN([C@@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H26F4N2O3S/c1-28(22(30)13-16-5-9-19(10-6-16)33(2,31)32)21-11-12-29(15-20(21)24)14-17-3-7-18(8-4-17)23(25,26)27/h3-10,20-21H,11-15H2,1-2H3/t20-,21+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379158
(CHEMBL2010837)Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C22H25F3N2O/c1-26(21(28)15-17-5-3-2-4-6-17)20-11-13-27(14-12-20)16-18-7-9-19(10-8-18)22(23,24)25/h2-10,20H,11-16H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379180
(CHEMBL2010831)Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C23H27F3N2O3S/c1-27(22(29)15-17-5-9-21(10-6-17)32(2,30)31)20-11-13-28(14-12-20)16-18-3-7-19(8-4-18)23(24,25)26/h3-10,20H,11-16H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
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UniChem
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PubMed
| n/a | n/a | n/a | n/a | 456 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379173
(CHEMBL2010839)Show SMILES CN(C1CCN(Cc2ccc(nc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C22H24F3N7O/c1-30(21(33)12-16-2-5-19(6-3-16)32-15-27-28-29-32)18-8-10-31(11-9-18)14-17-4-7-20(26-13-17)22(23,24)25/h2-7,13,15,18H,8-12,14H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.89E+3 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379171
(CHEMBL2010841)Show SMILES CN(C1CCN(Cc2ccc(cc2)-c2noc(C)n2)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C25H28N8O2/c1-18-27-25(28-35-18)21-7-3-20(4-8-21)16-32-13-11-22(12-14-32)31(2)24(34)15-19-5-9-23(10-6-19)33-17-26-29-30-33/h3-10,17,22H,11-16H2,1-2H3 | PDB
UniProtKB/SwissProt
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 441 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379167
(CHEMBL2010845)Show SMILES CN([C@@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1 |r| Show InChI InChI=1S/C23H24F4N6O/c1-31(22(34)12-16-4-8-19(9-5-16)33-15-28-29-30-33)21-10-11-32(14-20(21)24)13-17-2-6-18(7-3-17)23(25,26)27/h2-9,15,20-21H,10-14H2,1H3/t20-,21+/m0/s1 | PDB
UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379159
(CHEMBL2010853)Show SMILES CN([C@@H]1CCN(Cc2nc3cc(F)ccc3s2)C[C@@H]1F)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H25F2N3O3S2/c1-27(23(29)11-15-3-6-17(7-4-15)33(2,30)31)20-9-10-28(13-18(20)25)14-22-26-19-12-16(24)5-8-21(19)32-22/h3-8,12,18,20H,9-11,13-14H2,1-2H3/t18-,20+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379181
(CHEMBL2010830)Show SMILES CCN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C24H29F3N2O3S/c1-3-29(23(30)16-18-6-10-22(11-7-18)33(2,31)32)21-12-14-28(15-13-21)17-19-4-8-20(9-5-19)24(25,26)27/h4-11,21H,3,12-17H2,1-2H3 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 538 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379178
(CHEMBL2010833)Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(c(F)c1)S(C)(=O)=O Show InChI InChI=1S/C23H26F4N2O3S/c1-28(22(30)14-17-5-8-21(20(24)13-17)33(2,31)32)19-9-11-29(12-10-19)15-16-3-6-18(7-4-16)23(25,26)27/h3-8,13,19H,9-12,14-15H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 131 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379164
(CHEMBL2010848)Show SMILES CN([C@@H]1CCN(Cc2ccc(cn2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1 |r| Show InChI InChI=1S/C22H23F4N7O/c1-31(21(34)10-15-2-6-18(7-3-15)33-14-28-29-30-33)20-8-9-32(13-19(20)23)12-17-5-4-16(11-27-17)22(24,25)26/h2-7,11,14,19-20H,8-10,12-13H2,1H3/t19-,20+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379174
(CHEMBL2010838)Show SMILES CN(C1CCN(Cc2ccc(cn2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C22H24F3N7O/c1-30(21(33)12-16-2-6-20(7-3-16)32-15-27-28-29-32)19-8-10-31(11-9-19)14-18-5-4-17(13-26-18)22(23,24)25/h2-7,13,15,19H,8-12,14H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.35E+3 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379166
(CHEMBL2010846)Show SMILES CO[C@@H]1CN(Cc2ccc(cc2)C(F)(F)F)CC[C@@H]1N(C)C(=O)Cc1ccc(cc1)-n1cnnn1 |r| Show InChI InChI=1S/C24H27F3N6O2/c1-31(23(34)13-17-5-9-20(10-6-17)33-16-28-29-30-33)21-11-12-32(15-22(21)35-2)14-18-3-7-19(8-4-18)24(25,26)27/h3-10,16,21-22H,11-15H2,1-2H3/t21-,22+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Mus musculus) | BDBM50379175
(CHEMBL2010836)Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
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PubMed
| n/a | n/a | n/a | n/a | 147 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at mouse GPR119 by cAMP assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379179
(CHEMBL2010832)Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1F)S(C)(=O)=O Show InChI InChI=1S/C23H26F4N2O3S/c1-28(22(30)13-17-5-8-20(14-21(17)24)33(2,31)32)19-9-11-29(12-10-19)15-16-3-6-18(7-4-16)23(25,26)27/h3-8,14,19H,9-13,15H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 122 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379177
(CHEMBL2010834)Show SMILES CNC(=O)c1ccc(CC(=O)N(C)C2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cc1 Show InChI InChI=1S/C24H28F3N3O2/c1-28-23(32)19-7-3-17(4-8-19)15-22(31)29(2)21-11-13-30(14-12-21)16-18-5-9-20(10-6-18)24(25,26)27/h3-10,21H,11-16H2,1-2H3,(H,28,32) | PDB
UniProtKB/SwissProt
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UniChem
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| n/a | n/a | n/a | n/a | 489 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379172
(CHEMBL2010840)Show SMILES CN(C1CCN(Cc2ccc(c(F)c2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C23H24F4N6O/c1-31(22(34)13-16-2-5-19(6-3-16)33-15-28-29-30-33)18-8-10-32(11-9-18)14-17-4-7-20(21(24)12-17)23(25,26)27/h2-7,12,15,18H,8-11,13-14H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 53 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379165
(CHEMBL2010847)Show SMILES CO[C@H]1CN(Cc2ccc(cc2)C(F)(F)F)CC[C@H]1N(C)C(=O)Cc1ccc(cc1)-n1cnnn1 |r| Show InChI InChI=1S/C24H27F3N6O2/c1-31(23(34)13-17-5-9-20(10-6-17)33-16-28-29-30-33)21-11-12-32(15-22(21)35-2)14-18-3-7-19(8-4-18)24(25,26)27/h3-10,16,21-22H,11-15H2,1-2H3/t21-,22+/m1/s1 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 172 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379160
(CHEMBL2010852)Show SMILES CN([C@@H]1CCN(Cc2nc3ccccc3s2)C[C@@H]1F)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H26FN3O3S2/c1-26(23(28)13-16-7-9-17(10-8-16)32(2,29)30)20-11-12-27(14-18(20)24)15-22-25-19-5-3-4-6-21(19)31-22/h3-10,18,20H,11-15H2,1-2H3/t18-,20+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379170
(CHEMBL2010842)Show SMILES CN(C1CCN(Cc2nc3cc(F)ccc3s2)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C23H24FN7OS/c1-29(23(32)12-16-2-5-19(6-3-16)31-15-25-27-28-31)18-8-10-30(11-9-18)14-22-26-20-13-17(24)4-7-21(20)33-22/h2-7,13,15,18H,8-12,14H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 76 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50379175
(CHEMBL2010836)Show SMILES CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 74 | n/a | n/a | n/a | n/a |
Astrazeneca U K Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay |
Bioorg Med Chem Lett 21: 7310-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.033
BindingDB Entry DOI: 10.7270/Q27945PF |
More data for this
Ligand-Target Pair | |
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