Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostacyclin receptor' and Ligand = 'BDBM50235380' 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)) | BDBM50235380
(CHEMBL3917503)Show SMILES OS(=O)(=O)CCNC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 |r,wU:15.15,wD:12.11,(32.65,-26.35,;31.1,-26.35,;29.77,-25.58,;31.1,-24.81,;30.34,-27.69,;31.11,-29.02,;30.34,-30.36,;28.8,-30.36,;28.03,-29.02,;28.03,-31.69,;28.8,-33.02,;28.03,-34.36,;26.49,-34.36,;25.72,-33.02,;24.18,-33.02,;23.41,-34.36,;21.87,-34.36,;21.1,-35.69,;19.56,-35.69,;18.79,-34.36,;18.79,-37.02,;19.56,-38.36,;18.79,-39.69,;19.56,-41.02,;21.1,-41.02,;21.87,-39.69,;21.1,-38.36,;17.25,-37.02,;16.48,-35.69,;14.94,-35.69,;14.17,-37.02,;12.63,-37.02,;14.94,-38.36,;16.48,-38.36,;24.18,-35.69,;25.72,-35.69,)| Show InChI InChI=1S/C25H31ClN2O7S/c26-21-10-12-23(13-11-21)28(22-4-2-1-3-5-22)25(30)35-17-20-8-6-19(7-9-20)16-34-18-24(29)27-14-15-36(31,32)33/h1-5,10-13,19-20H,6-9,14-18H2,(H,27,29)(H,31,32,33)/t19-,20- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of [3H]-iloprost from recombinant human IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation cou... |
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)) | BDBM50235380
(CHEMBL3917503)Show SMILES OS(=O)(=O)CCNC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 |r,wU:15.15,wD:12.11,(32.65,-26.35,;31.1,-26.35,;29.77,-25.58,;31.1,-24.81,;30.34,-27.69,;31.11,-29.02,;30.34,-30.36,;28.8,-30.36,;28.03,-29.02,;28.03,-31.69,;28.8,-33.02,;28.03,-34.36,;26.49,-34.36,;25.72,-33.02,;24.18,-33.02,;23.41,-34.36,;21.87,-34.36,;21.1,-35.69,;19.56,-35.69,;18.79,-34.36,;18.79,-37.02,;19.56,-38.36,;18.79,-39.69,;19.56,-41.02,;21.1,-41.02,;21.87,-39.69,;21.1,-38.36,;17.25,-37.02,;16.48,-35.69,;14.94,-35.69,;14.17,-37.02,;12.63,-37.02,;14.94,-38.36,;16.48,-38.36,;24.18,-35.69,;25.72,-35.69,)| Show InChI InChI=1S/C25H31ClN2O7S/c26-21-10-12-23(13-11-21)28(22-4-2-1-3-5-22)25(30)35-17-20-8-6-19(7-9-20)16-34-18-24(29)27-14-15-36(31,32)33/h1-5,10-13,19-20H,6-9,14-18H2,(H,27,29)(H,31,32,33)/t19-,20- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 930 | 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 | |