Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostacyclin receptor' and Ligand = 'BDBM50235374' 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)) | BDBM50235374
(CHEMBL3935924)Show SMILES Cc1ccc(cc1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1ccccc1 |r,wU:15.16,wD:12.12,(13.2,-36.56,;14.53,-35.79,;15.86,-36.56,;17.2,-35.79,;17.2,-34.25,;15.86,-33.48,;14.53,-34.25,;18.53,-33.48,;19.87,-34.25,;19.87,-35.79,;21.2,-33.48,;22.53,-34.25,;23.87,-33.48,;25.2,-34.25,;26.53,-33.48,;26.53,-31.94,;27.87,-31.17,;29.2,-31.94,;29.2,-33.48,;30.53,-34.25,;31.87,-33.48,;30.53,-35.79,;25.2,-31.17,;23.87,-31.94,;18.53,-31.94,;17.2,-31.17,;17.2,-29.63,;18.53,-28.86,;19.87,-29.63,;19.87,-31.17,)| Show InChI InChI=1S/C24H29NO5/c1-18-7-13-22(14-8-18)25(21-5-3-2-4-6-21)24(28)30-16-20-11-9-19(10-12-20)15-29-17-23(26)27/h2-8,13-14,19-20H,9-12,15-17H2,1H3,(H,26,27)/t19-,20- | 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 | 39 | 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) | BDBM50235374
(CHEMBL3935924)Show SMILES Cc1ccc(cc1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1ccccc1 |r,wU:15.16,wD:12.12,(13.2,-36.56,;14.53,-35.79,;15.86,-36.56,;17.2,-35.79,;17.2,-34.25,;15.86,-33.48,;14.53,-34.25,;18.53,-33.48,;19.87,-34.25,;19.87,-35.79,;21.2,-33.48,;22.53,-34.25,;23.87,-33.48,;25.2,-34.25,;26.53,-33.48,;26.53,-31.94,;27.87,-31.17,;29.2,-31.94,;29.2,-33.48,;30.53,-34.25,;31.87,-33.48,;30.53,-35.79,;25.2,-31.17,;23.87,-31.94,;18.53,-31.94,;17.2,-31.17,;17.2,-29.63,;18.53,-28.86,;19.87,-29.63,;19.87,-31.17,)| Show InChI InChI=1S/C24H29NO5/c1-18-7-13-22(14-8-18)25(21-5-3-2-4-6-21)24(28)30-16-20-11-9-19(10-12-20)15-29-17-23(26)27/h2-8,13-14,19-20H,9-12,15-17H2,1H3,(H,26,27)/t19-,20- | 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 | 174 | 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)) | BDBM50235374
(CHEMBL3935924)Show SMILES Cc1ccc(cc1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1ccccc1 |r,wU:15.16,wD:12.12,(13.2,-36.56,;14.53,-35.79,;15.86,-36.56,;17.2,-35.79,;17.2,-34.25,;15.86,-33.48,;14.53,-34.25,;18.53,-33.48,;19.87,-34.25,;19.87,-35.79,;21.2,-33.48,;22.53,-34.25,;23.87,-33.48,;25.2,-34.25,;26.53,-33.48,;26.53,-31.94,;27.87,-31.17,;29.2,-31.94,;29.2,-33.48,;30.53,-34.25,;31.87,-33.48,;30.53,-35.79,;25.2,-31.17,;23.87,-31.94,;18.53,-31.94,;17.2,-31.17,;17.2,-29.63,;18.53,-28.86,;19.87,-29.63,;19.87,-31.17,)| Show InChI InChI=1S/C24H29NO5/c1-18-7-13-22(14-8-18)25(21-5-3-2-4-6-21)24(28)30-16-20-11-9-19(10-12-20)15-29-17-23(26)27/h2-8,13-14,19-20H,9-12,15-17H2,1H3,(H,26,27)/t19-,20- | 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 | 3.90 | 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 | |