Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Coagulation factor X | ||
Ligand | BDBM50017941 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1364435 (CHEMBL3294776) | ||
Ki | 538±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: |
| ||
BDBM50017941 | |||
n/a | |||
Name | BDBM50017941 | ||
Synonyms: | CHEMBL3289020 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H29N5O4 | ||
Mol. Mass. | 487.5503 | ||
SMILES | NC(=N)c1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(=O)NC2CCC(O)CC2)cc1 |(20.63,-.34,;19.29,.43,;19.29,1.97,;17.96,-.34,;16.63,.43,;15.29,-.34,;15.29,-1.88,;13.96,-2.65,;13.96,-4.19,;12.63,-4.96,;12.63,-6.5,;11.29,-7.27,;9.96,-6.5,;8.62,-7.27,;7.29,-6.5,;7.29,-4.96,;8.62,-4.19,;9.96,-4.96,;5.96,-4.19,;4.62,-4.96,;5.96,-2.65,;13.96,-7.27,;15.29,-6.5,;15.29,-4.96,;16.63,-7.27,;16.63,-8.81,;17.96,-6.5,;19.29,-7.27,;20.63,-6.5,;21.96,-7.27,;21.96,-8.81,;23.3,-9.58,;20.63,-9.58,;19.29,-8.81,;16.63,-2.65,;17.96,-1.88,)| | ||
Structure |