Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostacyclin receptor' and Ligand = 'BDBM50235386' 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)) | BDBM50235386
(CHEMBL3919269)Show SMILES OC(=O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 |r,wU:9.9,6.5,(31.59,-33.64,;30.26,-34.41,;30.26,-35.95,;28.93,-33.64,;28.93,-32.1,;27.59,-31.33,;26.26,-32.1,;26.26,-33.64,;24.92,-34.41,;23.59,-33.64,;22.26,-34.41,;20.92,-33.64,;19.59,-34.41,;19.59,-35.95,;18.26,-33.64,;18.26,-32.1,;16.92,-31.33,;16.92,-29.79,;18.26,-29.02,;19.59,-29.79,;19.59,-31.33,;16.92,-34.41,;16.92,-35.95,;15.59,-36.72,;14.26,-35.95,;12.92,-36.72,;14.26,-34.41,;15.59,-33.64,;23.59,-32.1,;24.92,-31.33,)| Show InChI InChI=1S/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 166 | 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) | BDBM50235386
(CHEMBL3919269)Show SMILES OC(=O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 |r,wU:9.9,6.5,(31.59,-33.64,;30.26,-34.41,;30.26,-35.95,;28.93,-33.64,;28.93,-32.1,;27.59,-31.33,;26.26,-32.1,;26.26,-33.64,;24.92,-34.41,;23.59,-33.64,;22.26,-34.41,;20.92,-33.64,;19.59,-34.41,;19.59,-35.95,;18.26,-33.64,;18.26,-32.1,;16.92,-31.33,;16.92,-29.79,;18.26,-29.02,;19.59,-29.79,;19.59,-31.33,;16.92,-34.41,;16.92,-35.95,;15.59,-36.72,;14.26,-35.95,;12.92,-36.72,;14.26,-34.41,;15.59,-33.64,;23.59,-32.1,;24.92,-31.33,)| Show InChI InChI=1S/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18+ | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 560 | 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)) | BDBM50235386
(CHEMBL3919269)Show SMILES OC(=O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 |r,wU:9.9,6.5,(31.59,-33.64,;30.26,-34.41,;30.26,-35.95,;28.93,-33.64,;28.93,-32.1,;27.59,-31.33,;26.26,-32.1,;26.26,-33.64,;24.92,-34.41,;23.59,-33.64,;22.26,-34.41,;20.92,-33.64,;19.59,-34.41,;19.59,-35.95,;18.26,-33.64,;18.26,-32.1,;16.92,-31.33,;16.92,-29.79,;18.26,-29.02,;19.59,-29.79,;19.59,-31.33,;16.92,-34.41,;16.92,-35.95,;15.59,-36.72,;14.26,-35.95,;12.92,-36.72,;14.26,-34.41,;15.59,-33.64,;23.59,-32.1,;24.92,-31.33,)| Show InChI InChI=1S/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 46 | 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 | |