| Reaction Details |
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 | Report a problem with these data |
| Target | Xanthine dehydrogenase/oxidase |
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| Ligand | BDBM50338863 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_727225 (CHEMBL1687250) |
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| IC50 | 64100±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 |
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| Synonyms: | XDH | XDH_BOVIN | Xanthine dehydrogenase | Xanthine oxidase | Xanthine oxidase (XO) |
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| Type: | Protein |
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| Mol. Mass.: | 146809.00 |
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| Organism: | Bos taurus (Bovine) |
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| Description: | P80457 |
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| Residue: | 1332 |
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| 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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| BDBM50338863 |
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| n/a |
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| Name | BDBM50338863 |
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| Synonyms: | 1-Acetyl-3-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-4,5-dihydro(1H)pyrazole | CHEMBL1684639 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H19BrN2O3 |
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| Mol. Mass. | 403.27 |
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| SMILES | COc1ccc(cc1OC)C1CC(=NN1C(C)=O)c1ccc(Br)cc1 |c:13| |
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| Structure | 
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