Reaction Details |
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Target | Xanthine dehydrogenase/oxidase |
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Ligand | BDBM50164871 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_727225 (CHEMBL1687250) |
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IC50 | 61400±n/a nM |
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Citation | Nepali, K; Singh, G; Turan, A; Agarwal, A; Sapra, S; Kumar, R; Banerjee, UC; Verma, PK; Satti, NK; Gupta, MK; Suri, OP; Dhar, KL A rational approach for the design and synthesis of 1-acetyl-3,5-diaryl-4,5-dihydro(1H)pyrazoles as a new class of potential non-purine xanthine oxidase inhibitors. Bioorg Med Chem19:1950-8 (2011) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Xanthine dehydrogenase/oxidase |
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Name: | Xanthine dehydrogenase/oxidase |
Synonyms: | XDH | XDH_BOVIN | Xanthine dehydrogenase | Xanthine oxidase | Xanthine oxidase (XO) |
Type: | Protein |
Mol. Mass.: | 146809.00 |
Organism: | Bos taurus (Bovine) |
Description: | P80457 |
Residue: | 1332 |
Sequence: | MTADELVFFVNGKKVVEKNADPETTLLAYLRRKLGLRGTKLGCGEGGCGACTVMLSKYDR
LQDKIIHFSANACLAPICTLHHVAVTTVEGIGSTKTRLHPVQERIAKSHGSQCGFCTPGI
VMSMYTLLRNQPEPTVEEIEDAFQGNLCRCTGYRPILQGFRTFAKNGGCCGGNGNNPNCC
MNQKKDHTVTLSPSLFNPEEFMPLDPTQEPIFPPELLRLKDVPPKQLRFEGERVTWIQAS
TLKELLDLKAQHPEAKLVVGNTEIGIEMKFKNQLFPMIICPAWIPELNAVEHGPEGISFG
AACALSSVEKTLLEAVAKLPTQKTEVFRGVLEQLRWFAGKQVKSVASLGGNIITASPISD
LNPVFMASGTKLTIVSRGTRRTVPMDHTFFPSYRKTLLGPEEILLSIEIPYSREDEFFSA
FKQASRREDDIAKVTCGMRVLFQPGSMQVKELALCYGGMADRTISALKTTQKQLSKFWNE
KLLQDVCAGLAEELSLSPDAPGGMIEFRRTLTLSFFFKFYLTVLKKLGKDSKDKCGKLDP
TYTSATLLFQKDPPANIQLFQEVPNGQSKEDTVGRPLPHLAAAMQASGEAVYCDDIPRYE
NELFLRLVTSTRAHAKIKSIDVSEAQKVPGFVCFLSADDIPGSNETGLFNDETVFAKDTV
TCVGHIIGAVVADTPEHAERAAHVVKVTYEDLPAIITIEDAIKNNSFYGSELKIEKGDLK
KGFSEADNVVSGELYIGGQDHFYLETHCTIAIPKGEEGEMELFVSTQNAMKTQSFVAKML
GVPVNRILVRVKRMGGGFGGKETRSTLVSVAVALAAYKTGHPVRCMLDRNEDMLITGGRH
PFLARYKVGFMKTGTIVALEVDHYSNAGNSRDLSHSIMERALFHMDNCYKIPNIRGTGRL
CKTNLSSNTAFRGFGGPQALFIAENWMSEVAVTCGLPAEEVRWKNMYKEGDLTHFNQRLE
GFSVPRCWDECLKSSQYYARKSEVDKFNKENCWKKRGLCIIPTKFGISFTVPFLNQAGAL
IHVYTDGSVLVSHGGTEMGQGLHTKMVQVASKALKIPISKIYISETSTNTVPNSSPTAAS
VSTDIYGQAVYEACQTILKRLEPFKKKNPDGSWEDWVMAAYQDRVSLSTTGFYRTPNLGY
SFETNSGNAFHYFTYGVACSEVEIDCLTGDHKNLRTDIVMDVGSSLNPAIDIGQVEGAFV
QGLGLFTLEELHYSPEGSLHTRGPSTYKIPAFGSIPTEFRVSLLRDCPNKKAIYASKAVG
EPPLFLGASVFFAIKDAIRAARAQHTNNNTKELFRLDSPATPEKIRNACVDKFTTLCVTG
APGNCKPWSLRV
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BDBM50164871 |
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n/a |
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Name | BDBM50164871 |
Synonyms: | 1-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-ethanone | 1-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone | 4,5-Dihydro-(1H)-pyrazole derivative, 1a | CHEMBL193585 |
Type | Small organic molecule |
Emp. Form. | C17H16N2O |
Mol. Mass. | 264.3217 |
SMILES | CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1 |c:4| |
Structure |
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