Reaction Details Report a problem with these data
Target
Coagulation factor X
Ligand
BDBM50172229
Substrate
n/a
Meas. Tech.
ChEMBL_321215 (CHEMBL884634)
IC50
5700±n/a nM
Citation
Kohrt, JT; Filipski, KJ; Cody, WL; Cai, C; Dudley, DA; Van Huis, CA; Willardsen, JA; Rapundalo, ST; Saiya-Cork, K; Leadley, RJ; Narasimhan, L; Zhang, E; Whitlow, M; Adler, M; McLean, K; Chou, YL; McKnight, C; Arnaiz, DO; Shaw, KJ; Light, DR; Edmunds, JJ The discovery of fluoropyridine-based inhibitors of the Factor VIIa/TF complex. Bioorg Med Chem Lett 15:4752-6 (2005) [PubMed] Article
More Info.:
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:
BDBM50172229
Synonyms:
6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-methyl-3-phenyl-propylamino)-pyridin-2-yloxy]-N-(1-hydroxymethyl-propyl)-isophthalamic acid; TFA | CHEMBL194673
Type:
Small organic molecule
Emp. Form.:
C34H35F2N5O6
Mol. Mass.:
647.6684
SMILES:
CCC(CO)NC(=O)c1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O