| Reaction Details |
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 | Report a problem with these data |
| Target | Glycogen synthase kinase-3 |
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| Ligand | BDBM50189603 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_368581 (CHEMBL866825) |
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| IC50 | >5000±n/a nM |
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| Citation |  Borzilleri, RM; Bhide, RS; Barrish, JC; D'Arienzo, CJ; Derbin, GM; Fargnoli, J; Hunt, JT; Jeyaseelan, R; Kamath, A; Kukral, DW; Marathe, P; Mortillo, S; Qian, L; Tokarski, JS; Wautlet, BS; Zheng, X; Lombardo, LJ Discovery and evaluation of N-cyclopropyl- 2,4-difluoro-5-((2-(pyridin-2-ylamino)thiazol-5- ylmethyl)amino)benzamide (BMS-605541), a selective and orally efficacious inhibitor of vascular endothelial growth factor receptor-2. J Med Chem49:3766-9 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Glycogen synthase kinase-3 |
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| Name: | Glycogen synthase kinase-3 |
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| Synonyms: | Glycogen synthase kinase-3 alpha/beta |
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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 2193535 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Glycogen synthase kinase-3 alpha |
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| Synonyms: | GSK-3 alpha | GSK3A | GSK3A_HUMAN | Glycogen synthase kinase 3 alpha (GSKalpha) | Glycogen synthase kinase-3 | Glycogen synthase kinase-3 alpha | Glycogen synthase kinase-3 alpha (GSK3 Alpha) | Glycogen synthase kinase-3 alpha (GSK3A) | Glycogen synthase kinase-3 alpha (GSK3alpha) |
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| Type: | Enzyme |
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| Mol. Mass.: | 50991.79 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P49840 |
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| Residue: | 483 |
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| Sequence: | MSGGGPSGGGPGGSGRARTSSFAEPGGGGGGGGGGPGGSASGPGGTGGGKASVGAMGGGV
GASSSGGGPGGSGGGGSGGPGAGTSFPPPGVKLGRDSGKVTTVVATLGQGPERSQEVAYT
DIKVIGNGSFGVVYQARLAETRELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFY
SSGEKKDELYLNLVLEYVPETVYRVARHFTKAKLTIPILYVKVYMYQLFRSLAYIHSQGV
CHRDIKPQNLLVDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSS
IDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIK
AHPWTKVFKSRTPPEAIALCSSLLEYTPSSRLSPLEACAHSFFDELRCLGTQLPNNRPLP
PLFNFSAGELSIQPSLNAILIPPHLRSPAGTTTLTPSSQALTETPTSSDWQSTDATPTLT
NSS
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| Component 2 |
| Name: | Glycogen synthase kinase-3 beta |
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| Synonyms: | GSK-3 beta | GSK-3, beta | GSK3B | GSK3B_HUMAN | Glycogen synthase kinase 3 beta (GSK3B) | Glycogen synthase kinase 3-beta (GSK3B) | Glycogen synthase kinase-3 beta (GSK-3B) | Glycogen synthase kinase-3 beta (GSK3 Beta) | Glycogen synthase kinase-3 beta (GSK3B) | Glycogen synthase kinase-3B (GSK-3B) | Glycogen synthase kinase-3beta (GSK3B) | Serine/threonine-protein kinase GSK3B |
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| Type: | Enzyme |
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| Mol. Mass.: | 46756.38 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P49841 |
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| Residue: | 420 |
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| Sequence: | MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTK
VIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSG
EKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHR
DIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDV
WSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHP
WTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALF
NFTTQELSSNPPLATILIPPHARIQAAASTPTNATAASDANTGDRGQTNNAASASASNST
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| BDBM50189603 |
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| n/a |
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| Name | BDBM50189603 |
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| Synonyms: | CHEMBL377734 | N-cyclopropyl-2,4-difluoro-5-((2-(pyridin-2-ylamino)thiazol-5-yl)methylamino)benzamide |
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| Type | Small organic molecule |
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| Emp. Form. | C19H17F2N5OS |
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| Mol. Mass. | 401.433 |
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| SMILES | Fc1cc(F)c(cc1NCc1cnc(Nc2ccccn2)s1)C(=O)NC1CC1 |
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| Structure | 
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