Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM50167018
Substrate
n/a
Meas. Tech.
ChEMBL_304697 (CHEMBL827049)
IC50
230±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:
BDBM50167018
Synonyms:
4-[2-(2-Carbamimidoyl-1,2,3,4,4a,8a-hexahydro-isoquinolin-7-yloxy)-ethyl]-3,4,5,6-tetrahydro-2H-[1,4']bipyridinyl-4-carboxylic acid; dihydrochloride | CHEMBL537853
Type:
Small organic molecule
Emp. Form.:
C23H29N5O3
Mol. Mass.:
423.5081
SMILES:
NC(=N)N1CCc2ccc(OCCC3(CCN(CC3)c3ccncc3)C(O)=O)cc2C1
Structure:
Search PDB for entries with ligand similarity: