Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM50167021
Substrate
n/a
Meas. Tech.
ChEMBL_304697 (CHEMBL827049)
IC50
4060±n/a nM
Citation
 Ueno, H; Yokota, K; Hoshi, J; Yasue, K; Hayashi, M; Hase, Y; Uchida, I; Aisaka, K; Katoh, S; Cho, H Synthesis and structure-activity relationships of novel selective factor Xa inhibitors with a tetrahydroisoquinoline ring. J Med Chem 48:3586-604 (2005) [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:
BDBM50167021
Synonyms:
7-[1-(3-Amino-benzyl)-piperidin-4-ylmethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxamidine; trihydrochloride | CHEMBL538324
Type:
Small organic molecule
Emp. Form.:
C23H31N5O
Mol. Mass.:
393.5251
SMILES:
NC(=N)N1CCc2ccc(OCC3CCN(Cc4cccc(N)c4)CC3)cc2C1
Structure:
Search PDB for entries with ligand similarity: