| Reaction Details |
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 | Report a problem with these data |
| Target | Transient receptor potential cation channel subfamily V member 1 |
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| Ligand | BDBM20580 |
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| Substrate/Competitor | BDBM10852 |
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| Meas. Tech. | Capsaicin Antagonist Assay |
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| pH | 7.4±n/a |
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| Temperature | 295.15±n/a K |
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| IC50 | 39±4 nM |
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| Comments | Thermodynamic solubility >= 200 ug/mL in 0.01 N HCl, measured in a high-throughput automated format. |
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| Citation |  Wang, HL; Katon, J; Balan, C; Bannon, AW; Bernard, C; Doherty, EM; Dominguez, C; Gavva, NR; Gore, V; Ma, V; Nishimura, N; Surapaneni, S; Tang, P; Tamir, R; Thiel, O; Treanor, JJ; Norman, MH Novel vanilloid receptor-1 antagonists: 3. The identification of a second-generation clinical candidate with improved physicochemical and pharmacokinetic properties. J Med Chem50:3528-39 (2007) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Transient receptor potential cation channel subfamily V member 1 |
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| Name: | Transient receptor potential cation channel subfamily V member 1 |
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| Synonyms: | Capsaicin receptor | OTRPC1 | TRPV1_RAT | Transient receptor potential cation channel subfamily V member 1 (TRPV1) | Trpv1 | Vanilloid Receptor 1 (TRPV1, VR1) | Vanilloid VR1 | Vanilloid receptor | Vanilloid receptor 1 (VRI/TRPV1) | Vanilloid receptor type 1-like | Vanilloid receptor type 1-like (TrpV1/Vr1) | Vr1 | Vr1l | osm-9-like TRP channel 1 |
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| Type: | Transient Receptor |
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| Mol. Mass.: | 94956.12 |
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| Organism: | Rattus norvegicus (rat) |
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| Description: | O35433 |
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| Residue: | 838 |
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| Sequence: | MEQRASLDSEESESPPQENSCLDPPDRDPNCKPPPVKPHIFTTRSRTRLFGKGDSEEASP
LDCPYEEGGLASCPIITVSSVLTIQRPGDGPASVRPSSQDSVSAGEKPPRLYDRRSIFDA
VAQSNCQELESLLPFLQRSKKRLTDSEFKDPETGKTCLLKAMLNLHNGQNDTIALLLDVA
RKTDSLKQFVNASYTDSYYKGQTALHIAIERRNMTLVTLLVENGADVQAAANGDFFKKTK
GRPGFYFGELPLSLAACTNQLAIVKFLLQNSWQPADISARDSVGNTVLHALVEVADNTVD
NTKFVTSMYNEILILGAKLHPTLKLEEITNRKGLTPLALAASSGKIGVLAYILQREIHEP
ECRHLSRKFTEWAYGPVHSSLYDLSCIDTCEKNSVLEVIAYSSSETPNRHDMLLVEPLNR
LLQDKWDRFVKRIFYFNFFVYCLYMIIFTAAAYYRPVEGLPPYKLKNTVGDYFRVTGEIL
SVSGGVYFFFRGIQYFLQRRPSLKSLFVDSYSEILFFVQSLFMLVSVVLYFSQRKEYVAS
MVFSLAMGWTNMLYYTRGFQQMGIYAVMIEKMILRDLCRFMFVYLVFLFGFSTAVVTLIE
DGKNNSLPMESTPHKCRGSACKPGNSYNSLYSTCLELFKFTIGMGDLEFTENYDFKAVFI
ILLLAYVILTYILLLNMLIALMGETVNKIAQESKNIWKLQRAITILDTEKSFLKCMRKAF
RSGKLLQVGFTPDGKDDYRWCFRVDEVNWTTWNTNVGIINEDPGNCEGVKRTLSFSLRSG
RVSGRNWKNFALVPLLRDASTRDRHATQQEEVQLKHYTGSLKPEDAEVFKDSMVPGEK
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| BDBM20580 |
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| BDBM10852 |
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| Name | BDBM20580 |
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| Synonyms: | N-{4-[(6-{4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-1-yl}pyrimidin-4-yl)oxy]-1,3-benzothiazol-2-yl}acetamide | Piperazinylpyrimidine analogue, 16o |
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| Type | Small organic molecule |
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| Emp. Form. | C26H28N6O3S |
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| Mol. Mass. | 504.604 |
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| SMILES | COc1ccc(cc1)C(C)N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1 |
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| Structure | 
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