Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostacyclin receptor' and Ligand = 'BDBM50235373' 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)) | BDBM50235373
(CHEMBL3928729)Show SMILES COc1cccc(c1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1ccccc1 |r,wU:16.17,wD:13.13,(30.85,-28.01,;29.51,-28.78,;29.51,-30.32,;30.85,-31.09,;30.85,-32.63,;29.51,-33.4,;28.18,-32.63,;28.18,-31.09,;26.85,-33.4,;25.51,-32.63,;25.51,-31.09,;24.18,-33.4,;22.85,-32.63,;21.51,-33.4,;20.18,-32.63,;18.84,-33.4,;18.84,-34.94,;17.51,-35.71,;16.18,-34.94,;16.18,-33.4,;14.84,-32.63,;13.51,-33.4,;14.84,-31.09,;20.18,-35.71,;21.51,-34.94,;26.85,-34.94,;28.18,-35.71,;28.18,-37.25,;26.85,-38.02,;25.51,-37.25,;25.51,-35.71,)| Show InChI InChI=1S/C24H29NO6/c1-29-22-9-5-8-21(14-22)25(20-6-3-2-4-7-20)24(28)31-16-19-12-10-18(11-13-19)15-30-17-23(26)27/h2-9,14,18-19H,10-13,15-17H2,1H3,(H,26,27)/t18-,19- | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against cathepsin B |
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) | BDBM50235373
(CHEMBL3928729)Show SMILES COc1cccc(c1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1ccccc1 |r,wU:16.17,wD:13.13,(30.85,-28.01,;29.51,-28.78,;29.51,-30.32,;30.85,-31.09,;30.85,-32.63,;29.51,-33.4,;28.18,-32.63,;28.18,-31.09,;26.85,-33.4,;25.51,-32.63,;25.51,-31.09,;24.18,-33.4,;22.85,-32.63,;21.51,-33.4,;20.18,-32.63,;18.84,-33.4,;18.84,-34.94,;17.51,-35.71,;16.18,-34.94,;16.18,-33.4,;14.84,-32.63,;13.51,-33.4,;14.84,-31.09,;20.18,-35.71,;21.51,-34.94,;26.85,-34.94,;28.18,-35.71,;28.18,-37.25,;26.85,-38.02,;25.51,-37.25,;25.51,-35.71,)| Show InChI InChI=1S/C24H29NO6/c1-29-22-9-5-8-21(14-22)25(20-6-3-2-4-7-20)24(28)31-16-19-12-10-18(11-13-19)15-30-17-23(26)27/h2-9,14,18-19H,10-13,15-17H2,1H3,(H,26,27)/t18-,19- | 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 | 470 | 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)) | BDBM50235373
(CHEMBL3928729)Show SMILES COc1cccc(c1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1ccccc1 |r,wU:16.17,wD:13.13,(30.85,-28.01,;29.51,-28.78,;29.51,-30.32,;30.85,-31.09,;30.85,-32.63,;29.51,-33.4,;28.18,-32.63,;28.18,-31.09,;26.85,-33.4,;25.51,-32.63,;25.51,-31.09,;24.18,-33.4,;22.85,-32.63,;21.51,-33.4,;20.18,-32.63,;18.84,-33.4,;18.84,-34.94,;17.51,-35.71,;16.18,-34.94,;16.18,-33.4,;14.84,-32.63,;13.51,-33.4,;14.84,-31.09,;20.18,-35.71,;21.51,-34.94,;26.85,-34.94,;28.18,-35.71,;28.18,-37.25,;26.85,-38.02,;25.51,-37.25,;25.51,-35.71,)| Show InChI InChI=1S/C24H29NO6/c1-29-22-9-5-8-21(14-22)25(20-6-3-2-4-7-20)24(28)31-16-19-12-10-18(11-13-19)15-30-17-23(26)27/h2-9,14,18-19H,10-13,15-17H2,1H3,(H,26,27)/t18-,19- | 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 | 12 | 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 | |
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