Reaction Details | |||
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Target | Coagulation factor X | ||
Ligand | BDBM50017934 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1364435 (CHEMBL3294776) | ||
Ki | 157±n/a nM | ||
Citation | Goswami, R; Mukherjee, S; Ghadiyaram, C; Wohlfahrt, G; Sistla, RK; Nagaraj, J; Satyam, LK; Subbarao, K; Palakurthy, RK; Gopinath, S; Krishnamurthy, NR; Ikonen, T; Moilanen, A; Subramanya, HS; Kallio, P; Ramachandra, M Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy. Bioorg Med Chem22:3187-203 (2014) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Coagulation factor X | |||
Name: | Coagulation factor X | ||
Synonyms: | Coagulation factor X | F10 | FA10_BOVIN | Factor Xa (fXa) | ||
Type: | PROTEIN | ||
Mol. Mass.: | 54498.45 | ||
Organism: | Bos taurus | ||
Description: | ChEMBL_1364435 | ||
Residue: | 492 | ||
Sequence: |
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BDBM50017934 | |||
n/a | |||
Name | BDBM50017934 | ||
Synonyms: | CHEMBL3289301 | ||
Type | Small organic molecule | ||
Emp. Form. | C29H34N6O3 | ||
Mol. Mass. | 514.6187 | ||
SMILES | N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(OCc2cccc(c2)C(N)=N)cc(OCc2cccc(c2)C(N)=N)c1 |r,wU:4.7,wD:1.0,(-.73,-10.04,;.81,-10.04,;1.58,-11.38,;3.12,-11.38,;3.89,-10.04,;3.12,-8.71,;1.58,-8.71,;5.43,-10.04,;6.2,-8.71,;5.43,-7.38,;7.74,-8.71,;8.51,-10.04,;10.05,-10.04,;10.82,-11.38,;12.36,-11.38,;13.13,-12.71,;12.36,-14.04,;13.13,-15.38,;14.67,-15.38,;15.44,-14.04,;14.67,-12.71,;16.98,-14.04,;17.75,-15.38,;17.75,-12.71,;10.82,-8.71,;10.05,-7.38,;10.82,-6.04,;12.36,-6.04,;13.13,-4.71,;14.67,-4.71,;15.44,-3.37,;14.67,-2.04,;13.13,-2.04,;12.36,-3.37,;12.36,-.71,;13.13,.63,;10.82,-.71,;8.51,-7.38,)| | ||
Structure |