bosentan [Ligand Id: 3494] activity data from GtoPdb and ChEMBL
Click here for a description of the charts and data table
Please tell us if you are using this feature and what you think!
| ChEMBL ligand: CHEMBL957 (Anhydrous bosentan, Bosentan, Bosentan anhydrous, Bosentan hydrate, Bosentan monohydrate, RO 47-0203/029, RO-47-0203-029, RO-470203029, Tracleer) |
|---|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| ABCB11/Bile salt export pump in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6020] [GtoPdb: 778] [UniProtKB: O95342] | ||||||||
| ChEMBL | Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake | B | 4.42 | pIC50 | 38100 | nM | IC50 | Drug Metab Dispos (2012) 40: 130-138 [PMID:21965623] |
| ABCB11/Bile salt export pump in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073674] [GtoPdb: 778] [UniProtKB: O70127] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of Taurocholate uptake in membrane vesicle from Bsep-expressing Sf9-cell | F | 4.92 | pKi | 12000 | nM | Ki | Clin Pharmacol Ther (2001) 69: 223-231 [PMID:11309550] |
| ChEMBL | Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake | B | 4.51 | pIC50 | 30600 | nM | IC50 | Drug Metab Dispos (2012) 40: 130-138 [PMID:21965623] |
| Deoxyhypusine synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4415] [UniProtKB: P49366] | ||||||||
| ChEMBL | Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay | B | 4.22 | pIC50 | 60830 | nM | IC50 | J Med Chem (2021) 64: 13356-13372 [PMID:34473510] |
| ETA receptor/Endothelin receptor ET-A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL252] [GtoPdb: 219] [UniProtKB: P25101] | ||||||||
| ChEMBL | Inhibitory activity against human endothelin A receptor expressed in CHO cells | B | 8.1 | pKi | 8 | nM | Ki | J Med Chem (2003) 46: 125-137 [PMID:12502366] |
| ChEMBL | Ability to displace endothelin ([125I]ET1) from human Endothelin A receptor | B | 8.19 | pKi | 6.5 | nM | Ki | J Med Chem (1997) 40: 3217-3227 [PMID:9379441] |
| ChEMBL | Antagonist activity at ETA receptor (unknown origin) assessed as increase in G protein-mediated vasoconstriction | B | 5.8 | pIC50 | 1584.89 | nM | IC50 | J Med Chem (2018) 61: 9841-9878 [PMID:29939744] |
| ChEMBL | Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cells | B | 7.1 | pIC50 | 80 | nM | IC50 | Bioorg Med Chem Lett (1997) 7: 2223-2228 |
| ChEMBL | Displacement of radioligand from ETA receptor (unknown origin) expressed in fall armyworm sf9 cell membranes | B | 7.1 | pIC50 | 80 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 3381-3394 [PMID:27321813] |
| ChEMBL | Antagonist activity at ET-A receptor (unknown origin) | B | 7.35 | pIC50 | 45 | nM | IC50 | J Med Chem (2016) 59: 8168-8188 [PMID:27266371] |
| ChEMBL | Displacement of [I125]ET1 from recombinant ETA receptor expressed in CHO cells after 2 hrs by TopCount analysis | B | 7.35 | pIC50 | 45 | nM | IC50 | J Med Chem (2012) 55: 7849-7861 [PMID:22862294] |
| ChEMBL | Displacement of 125I-ET1 from human smooth muscle ETA receptor | B | 7.35 | pIC50 | 45 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 3381-3394 [PMID:27321813] |
| ChEMBL | In vitro inhibitory concentration required against [125I]ET1 binding to membranes of CHO cells expressing human ETA receptor | B | 7.4 | pIC50 | 40 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 955-959 [PMID:12617929] |
| ChEMBL | Antagonist activity at human endothelin receptor subtype A expressed in CHO-K1 cells | F | 8.05 | pIC50 | 8.9 | nM | IC50 | Bioorg Med Chem (2012) 20: 4661-4667 [PMID:22750010] |
| ChEMBL | Displacement of 125I-labelled endothelin-1 from human ETA receptor expressed in CHOK1 cell membranes | B | 8.08 | pIC50 | 8.4 | nM | IC50 | Medchemcomm (2015) 6: 1479-1483 |
| ChEMBL | Receptor binding affinity was determined in a radioligand binding assay against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected CHO cells | B | 8.1 | pIC50 | 8 | nM | IC50 | Bioorg Med Chem Lett (1997) 7: 2223-2228 |
| ChEMBL | Binding affinity to human ETA receptor | B | 8.33 | pIC50 | 4.7 | nM | IC50 | Eur J Med Chem (2016) 121: 658-670 [PMID:27318985] |
| Endothelin receptor ET-A in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4130] [UniProtKB: Q29010] | ||||||||
| ChEMBL | In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane. | B | 8.12 | pIC50 | 7.5 | nM | IC50 | Bioorg Med Chem Lett (2002) 12: 81-84 [PMID:11738578] |
| ETA receptor/Endothelin receptor ET-A in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4566] [GtoPdb: 219] [UniProtKB: P26684] | ||||||||
| ChEMBL | Potency on ETA receptor assessed by inhibition of the contraction induced by ET-1 in rat aortic rings | F | 7.14 | pKd | 72.44 | nM | Kd | Bioorg Med Chem Lett (2003) 13: 955-959 [PMID:12617929] |
| ChEMBL | Compound was evaluated for in vitro functional inhibitory potency for prevention of ET-1 induced constriction of rat aortic rings (ETA receptors) | F | 7.3 | pKd | 50.12 | nM | Kd | Bioorg Med Chem Lett (1997) 7: 2223-2228 |
| ChEMBL | Antagonist activity at rat aortic ring ETA receptor in presence of ET1 | B | 7.4 | pKd | 39.81 | nM | Kd | Bioorg Med Chem Lett (2016) 26: 3381-3394 [PMID:27321813] |
| ChEMBL | Binding affinity towards Endothelin A receptor | B | 8.19 | pKi | 6.5 | nM | Ki | J Med Chem (2004) 47: 1969-1986 [PMID:15055997] |
| ChEMBL | Displacement of [125I]ET-1 from rat ETA receptor after 1 hr by Lowry method | B | 8.33 | pIC50 | 4.7 | nM | IC50 | Bioorg Med Chem (2015) 23: 657-667 [PMID:25614116] |
| GtoPdb | - | - | 7.2 | pA2 | - | - | - | J Pharmacol Exp Ther (1994) 270: 228-35 [PMID:8035319] |
| ETB receptor/Endothelin receptor ET-B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1785] [GtoPdb: 220] [UniProtKB: P24530] | ||||||||
| ChEMBL | Ability to displace endothelin ([125I]ET1) from human Endothelin B receptor | B | 6.47 | pKi | 340 | nM | Ki | J Med Chem (1997) 40: 3217-3227 [PMID:9379441] |
| ChEMBL | Inhibitory activity against human endothelin B receptor expressed in CHO cells | B | 7.1 | pKi | 80 | nM | Ki | J Med Chem (2003) 46: 125-137 [PMID:12502366] |
| GtoPdb | - | - | 7.1 | pKi | 80 | nM | Ki | J Pharmacol Exp Ther (1994) 270: 228-35 [PMID:8035319] |
| ChEMBL | Antagonist activity at ETB receptor (unknown origin) assessed as effect on G protein-mediated smooth muscle contraction | B | 6 | pIC50 | 1000 | nM | IC50 | J Med Chem (2018) 61: 9841-9878 [PMID:29939744] |
| ChEMBL | In vitro inhibitory concentration required against [125I]ET1 binding to membranes of CHO cells expressing human ETB receptor | B | 6.55 | pIC50 | 280 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 955-959 [PMID:12617929] |
| ChEMBL | Antagonist activity at ET-B receptor (unknown origin) | B | 6.69 | pIC50 | 202 | nM | IC50 | J Med Chem (2016) 59: 8168-8188 [PMID:27266371] |
| ChEMBL | Displacement of [I125]ET1 from recombinant ETB receptor expressed in CHO cells after 2 hrs by TopCount analysis | B | 6.69 | pIC50 | 202 | nM | IC50 | J Med Chem (2012) 55: 7849-7861 [PMID:22862294] |
| ChEMBL | Displacement of 125I-ET1 from human placenta ETB receptor | B | 6.69 | pIC50 | 202 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 3381-3394 [PMID:27321813] |
| ChEMBL | Displacement of radioligand from ETB receptor in human placenta cell membranes | B | 6.82 | pIC50 | 150 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 3381-3394 [PMID:27321813] |
| ChEMBL | Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptor | B | 6.82 | pIC50 | 150 | nM | IC50 | Bioorg Med Chem Lett (1997) 7: 2223-2228 |
| ChEMBL | Binding affinity to human ETB receptor | B | 7.02 | pIC50 | 95 | nM | IC50 | Eur J Med Chem (2016) 121: 658-670 [PMID:27318985] |
| ETB receptor/Endothelin receptor ET-B in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4631] [GtoPdb: 220] [UniProtKB: P21451] | ||||||||
| ChEMBL | Compound was evaluated for in vitro functional inhibitory potency for prevention of sarafotoxin S6c induced constriction of rat tracheal rings (ETB receptors) | F | 5.8 | pKd | 1584.89 | nM | Kd | Bioorg Med Chem Lett (1997) 7: 2223-2228 |
| ChEMBL | Displacement of [125I]ET-1 from rat ETB receptor after 1 hr by Lowry method | B | 7.02 | pIC50 | 95 | nM | IC50 | Bioorg Med Chem (2015) 23: 657-667 [PMID:25614116] |
| GtoPdb | - | - | 6 | pA2 | - | - | - | J Pharmacol Exp Ther (1994) 270: 228-35 [PMID:8035319] |
ChEMBL data shown on this page come from version 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
