Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T23499 | Target Info | |||
| Target Name | Endothelin A receptor (EDNRA) | ||||
| Synonyms |
HET-AR; Endothelin-1 receptor; Endothelin receptor type A; Endothelin receptor A; ETRA; ETA-R; ETA receptor; ETA; ET-A
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| Target Type | Successful Target | ||||
| Gene Name | EDNRA | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 29 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(3S)-3-[[(2S)-2-[[(2S)-2-Acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[(2S)-2-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2369711; BDBM50366420
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
(2E,4E)-Hexa-2,4-dienoic acid (5R,9aS,9bS)-1,9b-dihydroxy-6,6,9a-trimethyl-1,3,5,5a,6,7,8,9,9a,9b-decahydro-naphtho[1,2-c]furan-5-yl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL353502; BDBM50088850
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| Activity |
IC50 = 50000 nM
|
[2] | |||
| Compound Name |
Histidyl-leucyl-aspartyl-isoleucyl-isoleucyl-tryptophan
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Investigative | Compound Info | ||
| Synonyms |
Endothelin (16-21); His-leu-asp-ile-ile-trp; CHEMBL34540; H-His-Leu-Asp-Ile-Ile-Trp-OH; ET-(16-21); Endothelin(16-21); SCHEMBL7996606; DTXSID40923789; BDBM50000565; BDBM50001216; ZINC95611937; Endothelin (16-21) trifluoroacetate salt
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
3-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-4-methyl-pentanoylamino}-N-(1-{1-[1-carboxy-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-methyl-butylcarbamoyl}-2-methyl-butyl)-succinamic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL432091; Ac-His-Leu-Asp-Ile-Ile-Trp; Ac-His-Leu-Asp-Ile-Ile-D-Trp; BDBM50000553; BDBM50001214
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2369714; BDBM50366418
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-Acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2369712; BDBM50366417
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
(2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-[bis(2-methylphenyl)methylamino]-2-oxoethyl]-2-[4-(2-propan-2-yloxyethoxy)phenyl]pyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL273642
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| Activity |
IC50 = 51703 nM
|
[4] | |||
| Compound Name |
N-(3,4-Dimethyl-isoxazol-5-yl)-2,4,6-trimethyl-benzenesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL312372; SCHEMBL7857442; BDBM50288025; N-(3,4-dimethyl-1,2-oxazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
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| Activity |
IC50 = 53000 nM
|
[5] | |||
| Compound Name |
N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-7-methyl-2-propylbenzimidazole-5-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3734955
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| Activity |
IC50 = 55000 nM
|
[6] | |||
| Compound Name |
3-[[4-[2-[(3,4-Dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-N-[2-(4-fluorophenyl)ethyl]-7-methyl-2-propylbenzimidazole-5-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3735265
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| Activity |
IC50 = 56000 nM
|
[6] | |||
| Compound Name |
Acridin-9-yl-benzo[1,3]dioxol-5-yl-acetic acid benzyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL316792; BDBM50288557
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| Activity |
IC50 = 57000 nM
|
[7] | |||
| Compound Name |
Benzo[1,3]dioxol-5-yl-(2-methyl-quinolin-4-yl)-acetic acid methyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL103497; BDBM50288545
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| Activity |
IC50 = 61000 nM
|
[7] | |||
| Compound Name |
2-(2,4,6-Trimethyl-phenoxymethyl)-thiophene-3-sulfonic acid (4-bromo-3-methyl-isoxazol-5-yl)-amide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL367024; SCHEMBL4632394; BDBM50291481; N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(2,4,6-trimethylphenoxy)methyl]thiophene-3-sulfonamide
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| Activity |
IC50 = 62000 nM
|
[8] | |||
| Compound Name |
(2E,4E,6E)-Octa-2,4,6-trienoic acid (5R,9aS,9bS)-1,9b-dihydroxy-6,6,9a-trimethyl-1,3,5,5a,6,7,8,9,9a,9b-decahydro-naphtho[1,2-c]furan-5-yl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL170335; BDBM50088849
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| Activity |
IC50 = 62000 nM
|
[2] | |||
| Compound Name |
Acridin-9-yl-benzo[1,3]dioxol-5-yl-acetic acid tert-butyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL100874; BDBM50288532
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| Activity |
IC50 = 66000 nM
|
[7] | |||
| Compound Name |
Sulfathiazole
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Investigative | Compound Info | ||
| Synonyms |
Sulphathiazole; Sulfathiazol; 2-Sulfanilamidothiazole; Sulfanilamidothiazole; Thiazamide; Norsulfasol; Norsulfazole; 2-Sulfonamidothiazole; 2-(Sulfanilylamino)thiazole; Neostrepsan; Sulfocerol; Thiozamide; Sulzol; 4-Amino-N-(thiazol-2-yl)benzenesulfonamide; 2-Sulfanilamidothiazol; 2-(p-Aminobenzenesulfonamido)thiazole; Azoquimiol; Azoseptale; Norsulfazol; Poliseptil; Sanotiazol; Sulfathiazolum; Sulfatiazol; Thiacoccine; Thiasulfol; Wintrazole; Cerazole; Chemosept; Cibazol; Eleudron; Estafilol; Planomide; Septozol; Duatok; Dulana; N(1)-2-Thiazolylsulfanilamide; Coco-Thiazole; Formosulfathiazole; Streptosilthiazole; Sulfamul; 2-(p-Aminobenzenesulphonamido)thiazole; Usaf sn-9; 4-Amino-N-2-thiazolylbenzenesulfonamide; Cerazol (suspension); Ciba 3714; 4-Amino-N-(1,3-thiazol-2-yl)benzenesulfonamide; Benzenesulfonamide, 4-amino-N-2-thiazolyl-; N1-(2-Thiazolyl)sulfanilamide; 4-amino-N-1,3-thiazol-2-ylbenzenesulfonamide; M&B 760; RP 2090; UNII-Y7FKS2XWQH; 4-Amino-N-thiazol-2-yl-benzenesulfonamide; 2090 R.P.; M+B 760; Sulfanilamide, N1-2-thiazolyl-; 4-Amino-N-(1,3-Thiazol-2-Yl)Benzene-1-Sulfonamide; Y7FKS2XWQH; Sodium sulfathiazole; MFCD00005319; CHEMBL437; N'-(2-Thiazolyl)sulfanilamide; N(sup1)-(2-Thiazolyl)sulfanilamide; NSC683531; Sulfanilamide, N(sup1)-2-thiazolyl-; NCGC00016309-02; NCGC00016309-06; Norsulfazolum; 4-Amino-N-(2-thiazolyl)benzenesulfonamide; DSSTox_CID_6068; DSSTox_RID_78004; DSSTox_GSID_26068; [(4-Aminophenyl)sulfonyl]-1,3-thiazol-2-ylamine; Solfatiazolo [DCIT]; Caswell No. 809B; Solfatiazolo; Sulfathiazol [INN-French]; Sulfatiazol [INN-Spanish]; N1-2-Thiazolylsulfanilamide; Sulfathiazolum [INN-Latin]; CCRIS 765; 2090 rp; 2-Sulfanilamidothiazol [German]; HSDB 4380; N(sup 1)-2-Thiazolylsulfanilamide; SR-05000001722; Sulfanilamide, N(1)-2-thiazolyl-; EINECS 200-771-5; NSC 31812; EPA Pesticide Chemical Code 077903; NSC 683531; Sulfanilamide, N(sup 1)-2-thiazolyl-; sulfthiazole; Enterobiocine; Sulfavitina; Cerazol; AI3-01050; Sulfathiazole [USP:INN:BAN]; 2-Sulfathiazole; Sulfathiazole(ST); Prestwick_430; Spectrum_001000; Prestwick0_000016; Prestwick1_000016; Prestwick2_000016; Prestwick3_000016; Spectrum2_000841; Spectrum3_001729; Spectrum4_000348; Spectrum5_001441; Sulfathiazole (USP/INN); N-2-Thiazolylsulfanilamide; Epitope ID:122234; Cambridge id 5251400; cid_5340; Oprea1_105970; Oprea1_297844; SCHEMBL94165; BSPBio_000051; BSPBio_003378; KBioGR_000755; KBioSS_001480; KSC917Q1B; MLS002154174; N-1-2-Thiazolylsulfanilamide; DivK1c_000560; SPECTRUM1500553; SPBio_000821; SPBio_001972; ARONIS018158; BPBio1_000057; WLN: T5N CSJ BMSWR DZ; DTXSID8026068; CTK8B7810; HMS501L22; KBio1_000560; KBio2_001480; KBio2_004048; KBio2_006616; KBio3_002598; KS-00004AEL; N(1)-(2-Thiazolyl)sulfanilamide; N(sup1)-2-Thiazolylsulfanilamide; NINDS_000560; HMS1568C13; HMS1921C07; HMS2092K09; HMS2095C13; HMS2259A13; HMS3652A03; HMS3712C13; Pharmakon1600-01500553; ZINC121458; HY-B0507; KS-00000H3L; NSC31812; SULFATHIAZOLE (TRIPLE SULFA); Tox21_110363; Tox21_202243; Tox21_303238; ANW-58669; BDBM50027796; CCG-40296; NSC-31812; NSC757331; s3116; SBB000946; STK043870; 2-(4-Aminobenzenesulfonamido)thiazole; AKOS000108630; Tox21_110363_1; DB06147; MCULE-1370710137; NE10395; NSC-683531; NSC-757331; SDCCGMLS-0065585.P001; IDI1_000560; NCGC00016309-01; NCGC00016309-03; NCGC00016309-04; NCGC00016309-05; NCGC00016309-07; NCGC00016309-08; NCGC00016309-09; NCGC00016309-10; NCGC00016309-14; NCGC00091133-01; NCGC00091133-02; NCGC00091133-03; NCGC00091133-04; NCGC00257187-01; NCGC00259792-01; Sulfanilamide, N1-2-thiazolyl- (8CI); AC-12783; AK-77834; DS-17245; NCI60_002730; SC-77388; SMR000017368; ST011910; SBI-0051527.P004; Sulfanilamide, N1-4-thiazolin-2-ylidene-; DB-055610; 4-amino-N-(thiazol-2-yl)-benzenesulfonamide; AB00052102; BB 0245015; FT-0631310; S0272; Sulfathiazole 100 microg/mL in Acetonitrile; SW149625-4; 4-[(1,3-Thiazol-2-yl)aminosulfonyl]aniline; Sulfathiazole, analytical standard, >=98.0%; 9610-EP2295053A1; 9610-EP2308872A1; 9610-EP2316829A1; C11169; D01047; AB00052102_14; AB00052102_15; Q408427; Sulfathiazole, VETRANAL(TM), analytical standard; 4-Amino-N-(1,3-thiazol-2-yl)benzenesulfonamide #; Q-201765; SR-05000001722-1; SR-05000001722-3; BRD-K14705039-001-05-7; BRD-K14705039-001-08-1; F1443-4816
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| Activity |
IC50 = 69000 nM
|
[9] | |||
| Compound Name |
(5S,6R,7R)-5-(3,4-Dimethoxyphenyl)-4-methoxy-6,7-bis(methoxymethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole
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Investigative | Compound Info | ||
| Synonyms |
Nirtetralin; CHEMBL453822; BDBM50292476; ZINC38940226
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| Activity |
IC50 = 75000 nM
|
[10] | |||
| Compound Name |
3-Anthracen-9-yl-2-benzo[1,3]dioxol-5-yl-propionic acid methyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL103731; BDBM50288534
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| Activity |
IC50 = 76000 nM
|
[7] | |||
| Compound Name |
2-Acridin-9-yl-2-benzo[1,3]dioxol-5-yl-acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL100120; BDBM50288536
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| Activity |
IC50 = 77000 nM
|
[7] | |||
| Compound Name |
2-[3-(1H-Indole-3-carbonylamino)-6-oxo-11-propylbenzo[b][1,4]benzodiazepin-5-yl]acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL315096; SCHEMBL9183568; BDBM50286242; L013052
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| Activity |
Ki = 80000 nM
|
[11] | |||
| Compound Name |
2-[3-(Naphthalene-1-carbonylamino)-6-oxo-11-propylbenzo[b][1,4]benzodiazepin-5-yl]acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL316247; BDBM50286236
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| Activity |
Ki = 83000 nM
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[11] | |||
| Compound Name |
4-Dimethylamino-N-(3,4-dimethyl-isoxazol-5-yl)-benzenesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL332471; SCHEMBL7849896; BDBM50036288; 4-(dimethylamino)-n-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide; 4-(dimethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
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| Activity |
IC50 = 84000 nM
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[12] | |||
| Compound Name |
N-(3,4-Dimethylisoxazol-5-yl)-4-nitrobenzenesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL80945; SCHEMBL1390835; CTK0E2457; DTXSID30626959; BDBM50288044; ZINC26476663; DA-43439; FT-0754951; N-(3,4-Dimethyl-isoxazol-5-yl)-4-nitro-benzenesulfonamide; Benzenesulfonamide, N-(3,4-dimethyl-5-isoxazolyl)-4-nitro-; N-(3,4-Dimethyl-1,2-oxazol-5-yl)-4-nitrobenzene-1-sulfonamide; N-(3,4-DIMETHYL-1,2-OXAZOL-5-YL)-4-NITROBENZENESULFONAMIDE
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| Activity |
IC50 = 90000 nM
|
[5] | |||
| Compound Name |
Phe-Leu-Asp-Ile-Ile-Trp
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL87252; BDBM50045238
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| Activity |
IC50 ~ 100000 nM
|
[13] | |||
| Compound Name |
2-(6-Oxo-3-phenylmethoxy-11H-benzo[b][1,4]benzodiazepin-5-yl)acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL87859; SCHEMBL9180328; BDBM50286241; L013047; (8-Benzyloxy-11-oxo-5,11-dihydro-dibenzo[b,e][1,4]diazepin-10-yl)-acetic acid
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| Activity |
Ki = 109000 nM
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[11] | |||
| Compound Name |
(2E,4E,6E)-Octa-2,4,6-trienoic acid (5R,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydro-naphtho[1,2-c]furan-5-yl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL173059; BDBM50088848
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| Activity |
IC50 = 135000 nM
|
[2] | |||
| Compound Name |
N-Tert-butyl-3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-7-methyl-2-propylbenzimidazole-5-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3736225
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| Activity |
IC50 = 140000 nM
|
[6] | |||
| Compound Name |
(2S,4S)-5,8-Dimethoxy-6-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic Acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL453823; BL-4170; BDBM50292478
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| Activity |
IC50 = 160000 nM
|
[10] | |||
| Compound Name |
3-[[4-[2-[(3,4-Dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-N-[2-(4-methoxyphenyl)ethyl]-7-methyl-2-propylbenzimidazole-5-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3736414
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| Activity |
IC50 = 200000 nM
|
[6] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 2 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
4-(1,1,1,3,3,3-Hexafluoro-2-methoxypropan-2-yl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3918612; BDBM50197956
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| Activity |
IC50 = 693000 nM
|
[14] | |||
| Compound Name |
4-[(2R,3R)-3-[(3,4-Dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,2-dimethoxybenzene
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL453568; (2R,3R)-Phyllanthin; SCHEMBL503799; MEGxp0_001857; ZINC5879645; BDBM50292477; MCULE-1843058440; Phyllanthin from the plant phyllanthus amarus
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| Activity |
IC50 > 1000000 nM
|
[10] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure-activity and biophysical studies of the C-terminal hexapeptide of endothelin. Bioorg Med Chem Lett. 1995 May 4;5(9):967-72. | ||||
| REF 2 | Synthesis and endothelin receptor binding activity of synthetic analogues of RES-1149-2. Bioorg Med Chem Lett. 2000 May 1;10(9):895-7. | ||||
| REF 3 | Design of C-terminal peptide antagonists of endothelin: structure-activity relationships of ET-[16-21, D-His16]. Bioorg Med Chem Lett. 1993 Apr;3(4):497-502. | ||||
| REF 4 | Design, synthesis, and activity of a series of pyrrolidine-3-carboxylic acid-based, highly specific, orally active ET(B) antagonists containing a diphenylmethylamine acetamide side chain. J Med Chem. 1999 Sep 9;42(18):3679-89. | ||||
| REF 5 | Halogen substitution at the isoxazole ring enhances the activity of N-(isoxazolyl)sulfonamide endothelin antagonists. Bioorg Med Chem Lett. 1996 Oct 22;6(20):2393-8. | ||||
| REF 6 | Design, synthesis and biological activity of 4'-[(benzimidazol-1-yl)methyl]biphenyl-2-sulphonamides as dual angiotensin II and endothelin A receptor antagonists. Medchemcomm. 2015;6:715-8. | ||||
| REF 7 | Synthesis and structure-activity relationships of 9-substituted acridines as endothelin-A receptor antagonists. Bioorg Med Chem Lett. 1996 Dec 17;6(24):2999-3002. | ||||
| REF 8 | Amide bond surrogates: A study in thiophenesulfonamide based endothelin receptor antagonists. Bioorg Med Chem Lett. 1997;7(7):939-44. | ||||
| REF 9 | Selective optimization of side activities: another way for drug discovery. J Med Chem. 2004 Mar 11;47(6):1303-14. | ||||
| REF 10 | A Novel Class of Non-Peptidic Endothelin Antagonists Isolated from the Medicinal Herb Phyllanthus niruri. J Nat Prod. 1995;58(10):1515-20. | ||||
| REF 11 | Design and synthesis of nonpeptidal endothelin receptor antagonists based on the structure of a cyclic pentapeptide. Bioorg Med Chem Lett. 1995 Feb 2;5(3):253-8. | ||||
| REF 12 | The discovery of sulfonamide endothelin antagonists and the development of the orally active ETA antagonist 5-(dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulf onamide. J Med Chem. 1994 Feb 4;37(3):329-31. | ||||
| REF 13 | Structure-activity relationships of C-terminal endothelin hexapeptide antagonists. J Med Chem. 1993 Sep 3;36(18):2585-94. | ||||
| REF 14 | Metabolism study and biological evaluation of bosentan derivatives. Eur J Med Chem. 2016 Oct 4;121:658-670. | ||||
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