| Reaction Details |
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 | Report a problem with these data |
| Target | Vasopressin V1a/V1b/V2 receptor |
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| Ligand | BDBM50001412 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_211078 |
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| IC50 | 10000±n/a nM |
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| Citation |  Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Orally active, nonpeptide oxytocin antagonists. J Med Chem35:3919-27 (1992) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Vasopressin V1a/V1b/V2 receptor |
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| Name: | Vasopressin V1a/V1b/V2 receptor |
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| Synonyms: | Vasopressin receptor |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 211078 |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | Vasopressin V1a receptor |
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| Synonyms: | Avpr1a | V1AR_RAT | VASOPRESSIN V1A | Vasopressin V1 receptor | Vasopressin V1a receptor | Vasopressin receptor |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 47674.81 |
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| Organism: | RAT |
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| Description: | VASOPRESSIN V1A AVPR1A RAT::P30560 |
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| Residue: | 424 |
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| Sequence: | MSFPRGSQDRSVGNSSPWWPLTTEGSNGSQEAARLGEGDSPLGDVRNEELAKLEIAVLAV
IFVVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQLCWDITYRFRGP
DWLCRVVKHLQVFAMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIATSWVLSFI
LSTPQYFIFSVIEIEVNNGTKTQDCWATFIQPWGTRAYVTWMTSGVFVAPVVVLGTCYGF
ICYHIWRNIRGKTASSRHSKGDKGSGEAVGPFHKGLLVTPCVSSVKSISRAKIRTVKMTF
VIVSAYILCWAPFFIVQMWSVWDENFIWTDSENPSITITALLASLNSCCNPWIYMFFSGH
LLQDCVQSFPCCHSMAQKFAKDDSDSMSRRQTSYSNNRSPTNSTGMWKDSPKSSKSIRFI
PVST
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| Component 2 |
| Name: | Vasopressin V2 receptor |
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| Synonyms: | AVPR V2 | Antidiuretic hormone receptor | Avpr2 | Renal-type arginine vasopressin receptor | V2R_RAT | VASOPRESSIN V2 | Vasopressin receptor |
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| Type: | G-protein coupled receptor |
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| Mol. Mass.: | 40761.85 |
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| Organism: | Rattus norvegicus (Rat) |
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| Description: | n/a |
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| Residue: | 371 |
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| Sequence: | MLLVSTVSAVPGLFSPPSSPSNSSQEELLDDRDPLLVRAELALLSTIFVAVALSNGLVLG
ALIRRGRRGRWAPMHVFISHLCLADLAVALFQVLPQLAWDATDRFHGPDALCRAVKYLQM
VGMYASSYMILAMTLDRHRAICRPMLAYRHGGGARWNRPVLVAWAFSLLLSLPQLFIFAQ
RDVGNGSGVFDCWARFAEPWGLRAYVTWIALMVFVAPALGIAACQVLIFREIHASLVPGP
SERAGRRRRGRRTGSPSEGAHVSAAMAKTVRMTLVIVIVYVLCWAPFFLVQLWAAWDPEA
PLERPPFVLLMLLASLNSCTNPWIYASFSSSVSSELRSLLCCAQRHTTHSLGPQDESCAT
ASSSLMKDTPS
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| Component 3 |
| Name: | Vasopressin V1b receptor |
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| Synonyms: | Avpr1b | V1BR_RAT | VASOPRESSIN V1B | Vasopressin V1b receptor | Vasopressin receptor |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 47104.48 |
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| Organism: | RAT |
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| Description: | VASOPRESSIN V1B AVPR1B RAT::P48974 |
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| Residue: | 425 |
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| Sequence: | MNSEPSWTATPSPGGTLPVPNATTPWLGRDEELAKVEIGILATVLVLATGGNLAVLLTLG
RHGHKRSRMHLFVLHLALTDLGVALFQVLPQLLWDITYRFQGSDLLCRAVKYLQVLSMFA
STYMLLAMTLDRYLAVCHPLRSLRQPSQSTYPLIAAPWLLAAILSLPQVFIFSLREVIQG
SGVLDCWADFYFSWGPRAYITWTTMAIFVLPVAVLSACYGLICHEIYKNLKVKTQAGREE
RRGWRTWDKSSSSAVATAATRGLPSRVSSISTISRAKIRTVKMTFVIVLAYIACWAPFFS
VQMWSVWDENAPNEDSTNVAFTISMLLGNLSSCCNPWIYMGFNSRLLPRSLSHHACCTGS
KPQVHRQLSTSSLTSRRTTLLTHACGSPTLRLSLNLSLRAKPRPAGSLKDLEQVDGEATM
ETSIF
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| BDBM50001412 |
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| n/a |
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| Name | BDBM50001412 |
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| Synonyms: | 3,7,7-trimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]heptan-2-one | CHEMBL127063 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H31NO3S |
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| Mol. Mass. | 413.573 |
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| SMILES | CC1C2CC[C@@](CS(=O)(=O)N3CCC4(CC3)C=Cc3ccccc43)(C1=O)C2(C)C |c:17| |
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| Structure | 
|
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