| Reaction Details |
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 | Report a problem with these data |
| Target | Integrin alpha-4/beta-7 |
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| Ligand | BDBM50437667 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_974258 (CHEMBL2411536) |
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| IC50 | 6.0±n/a nM |
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| Citation |  Xu, YZ; Smith, JL; Semko, CM; Rossiter, KI; Fukuda, JY; Dappen, MS; Quincy, DA; Konradi, AW; Mao, W; Welch, B; Dreyer, ML; Samant, B; Zhang, H; Lugar, J; Liao, Z; Henschel, C; Petersen, E; Vandevert, C; Shoemaker, M; Wehner, N; Mutter, L; Shopp, G; Krimm, M; Chen, L; Wipke, B; Dofiles, L; Gallager, I; Sauer, JM; Messersmith, EK; Pleiss, MA; Bard, F; Yednock, TA Orally available and efficaciousa4ß1/a4ß7 integrin inhibitors. Bioorg Med Chem Lett23:4370-3 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Integrin alpha-4/beta-7 |
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| Name: | Integrin alpha-4/beta-7 |
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| Synonyms: | Integrin α4β7 | Integrin alpha-4/beta-7 | Integrin alpha-4/beta7 | Integrin alpha4beta7 |
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| Type: | Protein Complex |
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| Mol. Mass.: | n/a |
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| Description: | The assay uses stably transfected K562 cells expressing human alpha4beta7 integrin. |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Integrin alpha-4 |
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| Synonyms: | CD49 antigen-like family member D | CD49D | CD49d antigen | CD_antigen=CD49d | ITA4_HUMAN | ITGA4 | Integrin alpha-4 | Integrin alpha-4/beta-7 | Integrin alpha-IV | Integrin alpha4 | VLA-4 | VLA-4 subunit alpha | integrin alpha 4 precursor | integrin alpha-4 precursor |
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| Type: | Membrane Protein |
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| Mol. Mass.: | 114897.35 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P13612 |
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| Residue: | 1032 |
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| Sequence: | MAWEARREPGPRRAAVRETVMLLLCLGVPTGRPYNVDTESALLYQGPHNTLFGYSVVLHS
HGANRWLLVGAPTANWLANASVINPGAIYRCRIGKNPGQTCEQLQLGSPNGEPCGKTCLE
ERDNQWLGVTLSRQPGENGSIVTCGHRWKNIFYIKNENKLPTGGCYGVPPDLRTELSKRI
APCYQDYVKKFGENFASCQAGISSFYTKDLIVMGAPGSSYWTGSLFVYNITTNKYKAFLD
KQNQVKFGSYLGYSVGAGHFRSQHTTEVVGGAPQHEQIGKAYIFSIDEKELNILHEMKGK
KLGSYFGASVCAVDLNADGFSDLLVGAPMQSTIREEGRVFVYINSGSGAVMNAMETNLVG
SDKYAARFGESIVNLGDIDNDGFEDVAIGAPQEDDLQGAIYIYNGRADGISSTFSQRIEG
LQISKSLSMFGQSISGQIDADNNGYVDVAVGAFRSDSAVLLRTRPVVIVDASLSHPESVN
RTKFDCVENGWPSVCIDLTLCFSYKGKEVPGYIVLFYNMSLDVNRKAESPPRFYFSSNGT
SDVITGSIQVSSREANCRTHQAFMRKDVRDILTPIQIEAAYHLGPHVISKRSTEEFPPLQ
PILQQKKEKDIMKKTINFARFCAHENCSADLQVSAKIGFLKPHENKTYLAVGSMKTLMLN
VSLFNAGDDAYETTLHVKLPVGLYFIKILELEEKQINCEVTDNSGVVQLDCSIGYIYVDH
LSRIDISFLLDVSSLSRAEEDLSITVHATCENEEEMDNLKHSRVTVAIPLKYEVKLTVHG
FVNPTSFVYGSNDENEPETCMVEKMNLTFHVINTGNSMAPNVSVEIMVPNSFSPQTDKLF
NILDVQTTTGECHFENYQRVCALEQQKSAMQTLKGIVRFLSKTDKRLLYCIKADPHCLNF
LCNFGKMESGKEASVHIQLEGRPSILEMDETSALKFEIRATGFPEPNPRVIELNKDENVA
HVLLEGLHHQRPKRYFTIVIISSSLLLGLIVLLLISYVMWKAGFFKRQYKSILQEENRRD
SWSYINSKSNDD
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| Component 2 |
| Name: | Integrin beta-7 |
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| Synonyms: | ITB7_HUMAN | ITGB7 | Integrin alpha-4/beta-7 | Integrin beta-7 precursor | Integrin beta7 |
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| Type: | Membrane Protein |
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| Mol. Mass.: | 86893.88 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P26010 |
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| Residue: | 798 |
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| Sequence: | MVALPMVLVLLLVLSRGESELDAKIPSTGDATEWRNPHLSMLGSCQPAPSCQKCILSHPS
CAWCKQLNFTASGEAEARRCARREELLARGCPLEELEEPRGQQEVLQDQPLSQGARGEGA
TQLAPQRVRVTLRPGEPQQLQVRFLRAEGYPVDLYYLMDLSYSMKDDLERVRQLGHALLV
RLQEVTHSVRIGFGSFVDKTVLPFVSTVPSKLRHPCPTRLERCQSPFSFHHVLSLTGDAQ
AFEREVGRQSVSGNLDSPEGGFDAILQAALCQEQIGWRNVSRLLVFTSDDTFHTAGDGKL
GGIFMPSDGHCHLDSNGLYSRSTEFDYPSVGQVAQALSAANIQPIFAVTSAALPVYQELS
KLIPKSAVGELSEDSSNVVQLIMDAYNSLSSTVTLEHSSLPPGVHISYESQCEGPEKREG
KAEDRGQCNHVRINQTVTFWVSLQATHCLPEPHLLRLRALGFSEELIVELHTLCDCNCSD
TQPQAPHCSDGQGHLQCGVCSCAPGRLGRLCECSVAELSSPDLESGCRAPNGTGPLCSGK
GHCQCGRCSCSGQSSGHLCECDDASCERHEGILCGGFGRCQCGVCHCHANRTGRACECSG
DMDSCISPEGGLCSGHGRCKCNRCQCLDGYYGALCDQCPGCKTPCERHRDCAECGAFRTG
PLATNCSTACAHTNVTLALAPILDDGWCKERTLDNQLFFFLVEDDARGTVVLRVRPQEKG
ADHTQAIVLGCVGGIVAVGLGLVLAYRLSVEIYDRREYSRFEKEQQQLNWKQDSNPLYKS
AITTTINPRFQEADSPTL
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| BDBM50437667 |
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| n/a |
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| Name | BDBM50437667 |
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| Synonyms: | CHEMBL2408064 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H43N7O5 |
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| Mol. Mass. | 569.6956 |
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| SMILES | CCN(CC)C(=O)N(CC)c1cnc(nc1N[C@@H](Cc1ccc(OC(=O)N2CCCC2)cc1)C(O)=O)N(CC)CC |r| |
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| Structure | 
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