Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostacyclin receptor' and Ligand = 'BDBM50235368' 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 |
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM50235368
(CHEMBL3893346)Show SMILES COc1ccc(cc1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1ccccc1 |r,wU:16.17,wD:13.13,(12.53,-35.95,;13.86,-36.72,;15.19,-35.95,;16.53,-36.72,;17.86,-35.95,;17.86,-34.41,;16.53,-33.64,;15.19,-34.41,;19.19,-33.64,;20.53,-34.41,;20.53,-35.95,;21.86,-33.64,;23.2,-34.41,;24.53,-33.64,;25.86,-34.41,;27.2,-33.64,;27.2,-32.1,;28.53,-31.33,;29.86,-32.1,;29.86,-33.64,;31.2,-34.41,;32.53,-33.64,;31.2,-35.95,;25.86,-31.33,;24.53,-32.1,;19.19,-32.1,;17.86,-31.33,;17.86,-29.79,;19.19,-29.02,;20.53,-29.79,;20.53,-31.33,)| Show InChI InChI=1S/C24H29NO6/c1-29-22-13-11-21(12-14-22)25(20-5-3-2-4-6-20)24(28)31-16-19-9-7-18(8-10-19)15-30-17-23(26)27/h2-6,11-14,18-19H,7-10,15-17H2,1H3,(H,26,27)/t18-,19- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at IP receptor in human primary platelets assessed as inhibition of ADP-induced platelet aggregation |
J Med Chem 60: 913-927 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00871 BindingDB Entry DOI: 10.7270/Q2VX0JSM |
More data for this Ligand-Target Pair | |
Prostacyclin receptor
(RAT) | BDBM50235368
(CHEMBL3893346)Show SMILES COc1ccc(cc1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1ccccc1 |r,wU:16.17,wD:13.13,(12.53,-35.95,;13.86,-36.72,;15.19,-35.95,;16.53,-36.72,;17.86,-35.95,;17.86,-34.41,;16.53,-33.64,;15.19,-34.41,;19.19,-33.64,;20.53,-34.41,;20.53,-35.95,;21.86,-33.64,;23.2,-34.41,;24.53,-33.64,;25.86,-34.41,;27.2,-33.64,;27.2,-32.1,;28.53,-31.33,;29.86,-32.1,;29.86,-33.64,;31.2,-34.41,;32.53,-33.64,;31.2,-35.95,;25.86,-31.33,;24.53,-32.1,;19.19,-32.1,;17.86,-31.33,;17.86,-29.79,;19.19,-29.02,;20.53,-29.79,;20.53,-31.33,)| Show InChI InChI=1S/C24H29NO6/c1-29-22-13-11-21(12-14-22)25(20-5-3-2-4-6-20)24(28)31-16-19-9-7-18(8-10-19)15-30-17-23(26)27/h2-6,11-14,18-19H,7-10,15-17H2,1H3,(H,26,27)/t18-,19- | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 165 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by H... |
J Med Chem 60: 913-927 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00871 BindingDB Entry DOI: 10.7270/Q2VX0JSM |
More data for this Ligand-Target Pair | |
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM50235368
(CHEMBL3893346)Show SMILES COc1ccc(cc1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1ccccc1 |r,wU:16.17,wD:13.13,(12.53,-35.95,;13.86,-36.72,;15.19,-35.95,;16.53,-36.72,;17.86,-35.95,;17.86,-34.41,;16.53,-33.64,;15.19,-34.41,;19.19,-33.64,;20.53,-34.41,;20.53,-35.95,;21.86,-33.64,;23.2,-34.41,;24.53,-33.64,;25.86,-34.41,;27.2,-33.64,;27.2,-32.1,;28.53,-31.33,;29.86,-32.1,;29.86,-33.64,;31.2,-34.41,;32.53,-33.64,;31.2,-35.95,;25.86,-31.33,;24.53,-32.1,;19.19,-32.1,;17.86,-31.33,;17.86,-29.79,;19.19,-29.02,;20.53,-29.79,;20.53,-31.33,)| Show InChI InChI=1S/C24H29NO6/c1-29-22-13-11-21(12-14-22)25(20-5-3-2-4-6-20)24(28)31-16-19-9-7-18(8-10-19)15-30-17-23(26)27/h2-6,11-14,18-19H,7-10,15-17H2,1H3,(H,26,27)/t18-,19- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by... |
J Med Chem 60: 913-927 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00871 BindingDB Entry DOI: 10.7270/Q2VX0JSM |
More data for this Ligand-Target Pair | |