Reaction Details |
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Target | Coagulation factor IX |
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Ligand | BDBM50153888 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1560117 (CHEMBL3778013) |
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IC50 | 11±n/a nM |
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Citation | Zhang, T; Liu, Y; Yang, X; Martin, GE; Yao, H; Shang, J; Bugianesi, RM; Ellsworth, KP; Sonatore, LM; Nizner, P; Sherer, EC; Hill, SE; Knemeyer, IW; Geissler, WM; Dandliker, PJ; Helmy, R; Wood, HB Definitive Metabolite Identification Coupled with Automated Ligand Identification System (ALIS) Technology: A Novel Approach to Uncover Structure-Activity Relationships and Guide Drug Design in a Factor IXa Inhibitor Program. J Med Chem59:1818-29 (2016) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Coagulation factor IX |
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Name: | Coagulation factor IX |
Synonyms: | Christmas factor | Coagulation factor IX precursor | Coagulation factor IX/VIII | Coagulation factor IXa | Coagulation factor IXa heavy chain | Coagulation factor IXa light chain | F9 | FA9_HUMAN | Factor IX | Factor IXa | Factor IXa (fIXa) | PTC | Plasma thromboplastin component |
Type: | Enzyme |
Mol. Mass.: | 51768.83 |
Organism: | Homo sapiens (Human) |
Description: | P00740 |
Residue: | 461 |
Sequence: | MQRVNMIMAESPGLITICLLGYLLSAECTVFLDHENANKILNRPKRYNSGKLEEFVQGNL
ERECMEEKCSFEEAREVFENTERTTEFWKQYVDGDQCESNPCLNGGSCKDDINSYECWCP
FGFEGKNCELDVTCNIKNGRCEQFCKNSADNKVVCSCTEGYRLAENQKSCEPAVPFPCGR
VSVSQTSKLTRAETVFPDVDYVNSTEAETILDNITQSTQSFNDFTRVVGGEDAKPGQFPW
QVVLNGKVDAFCGGSIVNEKWIVTAAHCVETGVKITVVAGEHNIEETEHTEQKRNVIRII
PHHNYNAAINKYNHDIALLELDEPLVLNSYVTPICIADKEYTNIFLKFGSGYVSGWGRVF
HKGRSALVLQYLRVPLVDRATCLRSTKFTIYNNMFCAGFHEGGRDSCQGDSGGPHVTEVE
GTSFLTGIISWGEECAMKGKYGIYTKVSRYVNWIKEKTKLT
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BDBM50153888 |
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n/a |
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Name | BDBM50153888 |
Synonyms: | CHEMBL3774998 |
Type | Small organic molecule |
Emp. Form. | C26H21Cl2FN6O2 |
Mol. Mass. | 539.388 |
SMILES | Cc1nc2cc(ccc2[nH]1)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(CO)n1)c1cccc(F)c1 |r| |
Structure |
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