| Reaction Details |
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 | Report a problem with these data |
| Target | Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 |
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| Ligand | BDBM47167 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_420185 (CHEMBL912728) |
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| IC50 | 8200±n/a nM |
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| Citation |  Peifer, C; Krasowski, A; Hämmerle, N; Kohlbacher, O; Dannhardt, G; Totzke, F; Schächtele, C; Laufer, S Profile and molecular modeling of 3-(indole-3-yl)-4-(3,4,5-trimethoxyphenyl)-1 H-pyrrole-2,5-dione (1) as a highly selective VEGF-R2/3 inhibitor. J Med Chem49:7549-53 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 |
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| Name: | Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 |
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| Synonyms: | CDK2/Cyclin A/Cyclin A1 | Cyclin A1/A2/dependent kinase 2 | Cyclin-dependent kinase 2/cyclin A |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of EBI is 42813 |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | Cyclin-A2 |
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| Synonyms: | CCN1 | CCNA | CCNA1 | CCNA2 | CCNA2_HUMAN | Cyclin A | Cyclin-A |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 48550.19 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P20248 |
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| Residue: | 432 |
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| Sequence: | MLGNSAPGPATREAGSALLALQQTALQEDQENINPEKAAPVQQPRTRAALAVLKSGNPRG
LAQQQRPKTRRVAPLKDLPVNDEHVTVPPWKANSKQPAFTIHVDEAEKEAQKKPAESQKI
EREDALAFNSAISLPGPRKPLVPLDYPMDGSFESPHTMDMSIILEDEKPVSVNEVPDYHE
DIHTYLREMEVKCKPKVGYMKKQPDITNSMRAILVDWLVEVGEEYKLQNETLHLAVNYID
RFLSSMSVLRGKLQLVGTAAMLLASKFEEIYPPEVAEFVYITDDTYTKKQVLRMEHLVLK
VLTFDLAAPTVNQFLTQYFLHQQPANCKVESLAMFLGELSLIDADPYLKYLPSVIAGAAF
HLALYTVTGQSWPESLIRKTGYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYKNSKYHG
VSLLNPPETLNL
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| Component 2 |
| Name: | Cyclin-A1 |
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| Synonyms: | CCNA1 | CCNA1_HUMAN | CDK2/Cyclin A1 | Cyclin-A1 | Cyclin-A1/Cyclin-dependent kinase 4 |
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| Type: | Enzyme |
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| Mol. Mass.: | 52343.37 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P78396 |
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| Residue: | 465 |
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| Sequence: | METGFPAIMYPGSFIGGWGEEYLSWEGPGLPDFVFQQQPVESEAMHCSNPKSGVVLATVA
RGPDACQILTRAPLGQDPPQRTVLGLLTANGQYRRTCGQGITRIRCYSGSENAFPPAGKK
ALPDCGVQEPPKQGFDIYMDELEQGDRDSCSVREGMAFEDVYEVDTGTLKSDLHFLLDFN
TVSPMLVDSSLLSQSEDISSLGTDVINVTEYAEEIYQYLREAEIRHRPKAHYMKKQPDIT
EGMRTILVDWLVEVGEEYKLRAETLYLAVNFLDRFLSCMSVLRGKLQLVGTAAMLLASKY
EEIYPPEVDEFVYITDDTYTKRQLLKMEHLLLKVLAFDLTVPTTNQFLLQYLRRQGVCVR
TENLAKYVAELSLLEADPFLKYLPSLIAAAAFCLANYTVNKHFWPETLAAFTGYSLSEIV
PCLSELHKAYLDIPHRPQQAIREKYKASKYLCVSLMEPPAVLLLQ
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| Component 3 |
| Name: | Cyclin-dependent kinase 2 |
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| Synonyms: | CDK2 | CDK2-Kinase | CDK2_HUMAN | CDKN2 | Cell division protein kinase 2 | Cyclin-dependent kinase 2 (CDK2) | Protein cereblon/Cyclin-dependent kinase 2 | p33 protein kinase |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 33938.17 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P24941 |
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| Residue: | 298 |
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| Sequence: | MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNH
PNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHS
HRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYY
STAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSF
PKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
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| Component 4 |
| Name: | Cyclin-A2 |
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| Synonyms: | CCN1 | CCNA | CCNA1 | CCNA2 | CCNA2_HUMAN | Cyclin A | Cyclin-A |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 48550.19 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P20248 |
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| Residue: | 432 |
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| Sequence: | MLGNSAPGPATREAGSALLALQQTALQEDQENINPEKAAPVQQPRTRAALAVLKSGNPRG
LAQQQRPKTRRVAPLKDLPVNDEHVTVPPWKANSKQPAFTIHVDEAEKEAQKKPAESQKI
EREDALAFNSAISLPGPRKPLVPLDYPMDGSFESPHTMDMSIILEDEKPVSVNEVPDYHE
DIHTYLREMEVKCKPKVGYMKKQPDITNSMRAILVDWLVEVGEEYKLQNETLHLAVNYID
RFLSSMSVLRGKLQLVGTAAMLLASKFEEIYPPEVAEFVYITDDTYTKKQVLRMEHLVLK
VLTFDLAAPTVNQFLTQYFLHQQPANCKVESLAMFLGELSLIDADPYLKYLPSVIAGAAF
HLALYTVTGQSWPESLIRKTGYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYKNSKYHG
VSLLNPPETLNL
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| BDBM47167 |
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| n/a |
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| Name | BDBM47167 |
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| Synonyms: | CHEMBL201511 | US8957103, Z1 | US9364459, A |
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| Type | n/a |
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| Emp. Form. | C21H18N2O5 |
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| Mol. Mass. | 378.378 |
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| SMILES | COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13| |
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| Structure | 
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