Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostacyclin receptor' and Ligand = 'BDBM50235391' 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
(RAT) | BDBM50235391
(CHEMBL3914174)Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(Cl)cc2)c2cccc(F)c2)CC1 |r,wU:6.5,wD:9.9,(30.68,-33.67,;29.35,-34.44,;29.35,-35.98,;28.02,-33.67,;28.02,-32.13,;26.68,-31.36,;25.35,-32.13,;25.35,-33.67,;24.02,-34.44,;22.68,-33.67,;21.35,-34.44,;20.01,-33.67,;18.68,-34.44,;18.68,-35.98,;17.35,-33.67,;17.35,-32.13,;16.01,-31.36,;16.01,-29.82,;17.35,-29.05,;17.35,-27.51,;18.68,-29.82,;18.68,-31.36,;16.01,-34.44,;14.68,-33.67,;13.35,-34.44,;13.35,-35.98,;14.68,-36.75,;14.68,-38.29,;16.01,-35.98,;22.68,-32.13,;24.02,-31.36,)| Show InChI InChI=1S/C23H25ClFNO5/c24-18-8-10-20(11-9-18)26(21-3-1-2-19(25)12-21)23(29)31-14-17-6-4-16(5-7-17)13-30-15-22(27)28/h1-3,8-12,16-17H,4-7,13-15H2,(H,27,28)/t16-,17- | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.19E+3 | 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)) | BDBM50235391
(CHEMBL3914174)Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(Cl)cc2)c2cccc(F)c2)CC1 |r,wU:6.5,wD:9.9,(30.68,-33.67,;29.35,-34.44,;29.35,-35.98,;28.02,-33.67,;28.02,-32.13,;26.68,-31.36,;25.35,-32.13,;25.35,-33.67,;24.02,-34.44,;22.68,-33.67,;21.35,-34.44,;20.01,-33.67,;18.68,-34.44,;18.68,-35.98,;17.35,-33.67,;17.35,-32.13,;16.01,-31.36,;16.01,-29.82,;17.35,-29.05,;17.35,-27.51,;18.68,-29.82,;18.68,-31.36,;16.01,-34.44,;14.68,-33.67,;13.35,-34.44,;13.35,-35.98,;14.68,-36.75,;14.68,-38.29,;16.01,-35.98,;22.68,-32.13,;24.02,-31.36,)| Show InChI InChI=1S/C23H25ClFNO5/c24-18-8-10-20(11-9-18)26(21-3-1-2-19(25)12-21)23(29)31-14-17-6-4-16(5-7-17)13-30-15-22(27)28/h1-3,8-12,16-17H,4-7,13-15H2,(H,27,28)/t16-,17- | 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 | 19 | 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 | |