Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostacyclin receptor' and Ligand = 'BDBM50235377' 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)) | BDBM50235377
(CHEMBL3890685)Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(Cl)c2)CC1 |r,wU:6.5,wD:9.9,(31.35,-32.86,;30.02,-33.63,;30.02,-35.17,;28.69,-32.86,;28.69,-31.32,;27.35,-30.55,;26.02,-31.32,;26.02,-32.86,;24.69,-33.63,;23.35,-32.86,;22.02,-33.63,;20.68,-32.86,;19.35,-33.63,;19.35,-35.17,;18.02,-32.86,;18.02,-31.32,;16.68,-30.55,;16.68,-29.01,;18.02,-28.24,;19.35,-29.01,;19.35,-30.55,;16.68,-33.63,;15.35,-32.86,;14.02,-33.63,;14.02,-35.17,;12.68,-35.94,;15.35,-35.94,;15.35,-37.48,;16.68,-35.17,;23.35,-31.32,;24.69,-30.55,)| Show InChI InChI=1S/C23H25ClFNO5/c24-20-12-19(10-11-21(20)25)26(18-4-2-1-3-5-18)23(29)31-14-17-8-6-16(7-9-17)13-30-15-22(27)28/h1-5,10-12,16-17H,6-9,13-15H2,(H,27,28)/t16-,17- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 142 | 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
(Homo sapiens (Human)) | BDBM50235377
(CHEMBL3890685)Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(Cl)c2)CC1 |r,wU:6.5,wD:9.9,(31.35,-32.86,;30.02,-33.63,;30.02,-35.17,;28.69,-32.86,;28.69,-31.32,;27.35,-30.55,;26.02,-31.32,;26.02,-32.86,;24.69,-33.63,;23.35,-32.86,;22.02,-33.63,;20.68,-32.86,;19.35,-33.63,;19.35,-35.17,;18.02,-32.86,;18.02,-31.32,;16.68,-30.55,;16.68,-29.01,;18.02,-28.24,;19.35,-29.01,;19.35,-30.55,;16.68,-33.63,;15.35,-32.86,;14.02,-33.63,;14.02,-35.17,;12.68,-35.94,;15.35,-35.94,;15.35,-37.48,;16.68,-35.17,;23.35,-31.32,;24.69,-30.55,)| Show InChI InChI=1S/C23H25ClFNO5/c24-20-12-19(10-11-21(20)25)26(18-4-2-1-3-5-18)23(29)31-14-17-8-6-16(7-9-17)13-30-15-22(27)28/h1-5,10-12,16-17H,6-9,13-15H2,(H,27,28)/t16-,17- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 38 | 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 | |
Prostacyclin receptor
(RAT) | BDBM50235377
(CHEMBL3890685)Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(Cl)c2)CC1 |r,wU:6.5,wD:9.9,(31.35,-32.86,;30.02,-33.63,;30.02,-35.17,;28.69,-32.86,;28.69,-31.32,;27.35,-30.55,;26.02,-31.32,;26.02,-32.86,;24.69,-33.63,;23.35,-32.86,;22.02,-33.63,;20.68,-32.86,;19.35,-33.63,;19.35,-35.17,;18.02,-32.86,;18.02,-31.32,;16.68,-30.55,;16.68,-29.01,;18.02,-28.24,;19.35,-29.01,;19.35,-30.55,;16.68,-33.63,;15.35,-32.86,;14.02,-33.63,;14.02,-35.17,;12.68,-35.94,;15.35,-35.94,;15.35,-37.48,;16.68,-35.17,;23.35,-31.32,;24.69,-30.55,)| Show InChI InChI=1S/C23H25ClFNO5/c24-20-12-19(10-11-21(20)25)26(18-4-2-1-3-5-18)23(29)31-14-17-8-6-16(7-9-17)13-30-15-22(27)28/h1-5,10-12,16-17H,6-9,13-15H2,(H,27,28)/t16-,17- | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.33E+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 | |