| Reaction Details |
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 | Report a problem with these data |
| Target | Vasopressin V1a/V1b receptor |
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| Ligand | BDBM50043141 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_211079 |
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| IC50 | 120±n/a nM |
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| Citation |  Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Nanomolar-affinity, non-peptide oxytocin receptor antagonists. J Med Chem36:3993-4005 (1994) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Vasopressin V1a/V1b receptor |
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| Name: | Vasopressin V1a/V1b receptor |
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| Synonyms: | Vasopressin V1 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 214265 |
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| Components: | This complex has 2 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 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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| BDBM50043141 |
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| n/a |
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| Name | BDBM50043141 |
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| Synonyms: | 5-(3-amino-1H-1,2,4-triazol-5-ylaminomethyl)-3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]tetrahydro-1H-2,4-imidazoledione | CHEMBL339524 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H40N8O4S |
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| Mol. Mass. | 596.744 |
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| SMILES | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CNc2nnc(N)[nH]2)[nH]c1=O |TLB:27:25:1:5.4| |
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| Structure | 
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