Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Coagulation factor X | ||
| Ligand | BDBM50017916 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1364435 (CHEMBL3294776) | ||
| Ki | 44±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: |
| ||
| BDBM50017916 | |||
| n/a | |||
| Name | BDBM50017916 | ||
| Synonyms: | CHEMBL3289038 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H29N5O4 | ||
| Mol. Mass. | 487.5503 | ||
| SMILES | N[C@H]1CC[C@@H](CC1)OC(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |r,wU:4.7,wD:1.0,(22.46,-8.49,;21.13,-7.72,;21.13,-6.18,;19.8,-5.41,;18.46,-6.18,;18.46,-7.72,;19.8,-8.49,;17.13,-5.41,;15.8,-6.18,;15.8,-7.72,;14.46,-5.41,;14.46,-3.87,;13.13,-3.1,;13.13,-1.56,;14.46,-.79,;14.46,.75,;15.8,1.52,;17.13,.75,;17.13,-.79,;15.8,-1.56,;18.46,1.52,;19.8,.75,;18.46,3.06,;11.79,-3.87,;11.79,-5.41,;10.46,-6.18,;9.13,-5.41,;7.79,-6.18,;6.46,-5.41,;6.46,-3.87,;7.79,-3.1,;9.13,-3.87,;5.13,-3.1,;3.79,-3.87,;5.13,-1.56,;13.13,-6.18,)| | ||
| Structure | 
| ||