Found 10 hits of ki for monomerid = 50429537 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 |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429537
(CHEMBL2333770)Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30) | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Binding affinity to human P2Y1 receptor |
Bioorg Med Chem Lett 23: 3239-43 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.125 BindingDB Entry DOI: 10.7270/Q2PN9714 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429537
(CHEMBL2333770)Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30) | PDB
UniProtKB/SwissProt
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by... |
J Med Chem 56: 1704-14 (2013)
Article DOI: 10.1021/jm301708u BindingDB Entry DOI: 10.7270/Q2ST7R6G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429537
(CHEMBL2333770)Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Displacement of [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis |
J Med Chem 56: 9275-95 (2013)
Article DOI: 10.1021/jm4013906 BindingDB Entry DOI: 10.7270/Q2KW5HHP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429537
(CHEMBL2333770)Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30) | PDB
UniProtKB/SwissProt
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50429537
(CHEMBL2333770)Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Georgia
Curated by ChEMBL
| Assay Description Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans |
J Med Chem 48: 3949-52 (2005)
Article DOI: 10.1021/jm050060l |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
P2Y purinoceptor 14
(Homo sapiens (Human)) | BDBM50429537
(CHEMBL2333770)Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30) | Reactome pathway KEGG
UniProtKB/SwissProt
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| 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human P2Y14 receptor |
J Med Chem 56: 1704-14 (2013)
Article DOI: 10.1021/jm301708u BindingDB Entry DOI: 10.7270/Q2ST7R6G |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 6
(Homo sapiens (Human)) | BDBM50429537
(CHEMBL2333770)Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30) | Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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Similars
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| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human P2Y6 receptor |
J Med Chem 56: 1704-14 (2013)
Article DOI: 10.1021/jm301708u BindingDB Entry DOI: 10.7270/Q2ST7R6G |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 11
(Homo sapiens (Human)) | BDBM50429537
(CHEMBL2333770)Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30) | Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human P2Y11 receptor |
J Med Chem 56: 1704-14 (2013)
Article DOI: 10.1021/jm301708u BindingDB Entry DOI: 10.7270/Q2ST7R6G |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 2
(Homo sapiens (Human)) | BDBM50429537
(CHEMBL2333770)Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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Similars
| Article PubMed
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human P2Y2 receptor |
J Med Chem 56: 1704-14 (2013)
Article DOI: 10.1021/jm301708u BindingDB Entry DOI: 10.7270/Q2ST7R6G |
More data for this Ligand-Target Pair | |
P2Y purinoceptor 12
(Homo sapiens (Human)) | BDBM50429537
(CHEMBL2333770)Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| Article PubMed
| >7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Displacement of [beta-33P]-2MeS-ADP from human P2Y12 receptor transfected in HEK293 cells assessed as [beta-33P] bound to cells after 1 hr by scintil... |
J Med Chem 56: 1704-14 (2013)
Article DOI: 10.1021/jm301708u BindingDB Entry DOI: 10.7270/Q2ST7R6G |
More data for this Ligand-Target Pair | |