Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM50062692
Substrate
n/a
Meas. Tech.
ChEMBL_48636 (CHEMBL874700)
IC50
1120±n/a nM
Citation
 Klein, SI; Czekaj, M; Gardner, CJ; Guertin, KR; Cheney, DL; Spada, AP; Bolton, SA; Brown, K; Colussi, D; Heran, CL; Morgan, SR; Leadley, RJ; Dunwiddie, CT; Perrone, MH; Chu, V Identification and initial structure-activity relationships of a novel class of nonpeptide inhibitors of blood coagulation factor Xa. J Med Chem 41:437-50 (1998) [PubMed]  Article 
Target
Name:
Coagulation factor X
Synonyms:
Activated coagulation factor X (FXa) | Activated factor Xa heavy chain | Coagulation factor X precursor | Coagulation factor Xa | F10 | FA10_HUMAN | Factor X heavy chain | Factor X light chain | Factor Xa | Stuart factor | Stuart-Prower factor
Type:
Enzyme
Mol. Mass.:
54726.60
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
488
Sequence:
MGRPLHLVLLSASLAGLLLLGESLFIRREQANNILARVTRANSFLEEMKKGHLERECMEETCSYEEAREVFEDSDKTNEFWNKYKDGDQCETSPCQNQGKCKDGLGEYTCTCLEGFEGKNCELFTRKLCSLDNGDCDQFCHEEQNSVVCSCARGYTLADNGKACIPTGPYPCGKQTLERRKRSVAQATSSSGEAPDSITWKPYDAADLDPTENPFDLLDFNQTQPERGDNNLTRIVGGQECKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRFKVRVGDRNTEQEEGGEAVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITFRMNVAPACLPERDWAESTLMTQKTGIVSGFGRTHEKGRQSTRLKMLEVPYVDRNSCKLSSSFIITQNMFCAGYDTKQEDACQGDSGGPHVTRFKDTYFVTGIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMKTRGLPKAKSHAPEVITSSPLK
  
Inhibitor
Name:
BDBM50062692
Synonyms:
(E)-3-[(Bicyclohexyl-4-carbonyl)-amino]-2-(3-carbamimidoyl-benzyl)-5-phenyl-pent-4-enoic acid methyl ester | CHEMBL138378
Type:
Small organic molecule
Emp. Form.:
C33H43N3O3
Mol. Mass.:
529.7128
SMILES:
COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)C1CCC(CC1)C1CCCCC1)\C=C\c1ccccc1 |(9.34,-3.53,;9.34,-5.07,;8.01,-5.84,;6.67,-5.07,;8.01,-7.38,;6.68,-8.15,;5.34,-7.38,;5.34,-5.84,;4,-5.07,;2.67,-5.84,;2.67,-7.38,;4,-8.15,;1.34,-8.15,;.01,-7.38,;1.34,-9.69,;9.34,-8.15,;9.34,-9.69,;10.69,-10.46,;11.44,-9.11,;11.09,-11.95,;9.76,-12.72,;9.78,-14.26,;11.13,-15.01,;12.46,-14.23,;12.44,-12.69,;11.14,-16.55,;12.49,-17.3,;12.49,-18.85,;11.16,-19.63,;9.83,-18.86,;9.82,-17.34,;10.67,-7.38,;12.02,-8.15,;13.35,-7.37,;14.68,-8.14,;16.01,-7.37,;16.01,-5.83,;14.66,-5.06,;13.33,-5.84,)|
Structure:
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