Reaction Details  Report a problem with these data
Target
Vitamin K-dependent protein C
Ligand
BDBM50459059
Substrate
n/a
Meas. Tech.
ChEMBL_1765372 (CHEMBL4200619)
IC50
>50000±n/a nM
Citation
 Buckley, BJ; Aboelela, A; Minaei, E; Jiang, LX; Xu, Z; Ali, U; Fildes, K; Cheung, CY; Cook, SM; Johnson, DC; Bachovchin, DA; Cook, GM; Apte, M; Huang, M; Ranson, M; Kelso, MJ 6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer. J Med Chem 61:8299-8320 (2018) [PubMed]  Article
Target
Name:
Vitamin K-dependent protein C
Synonyms:
Activated protein C cofactor | Anticoagulant protein C | Apolipoprotein H | Autoprothrombin IIA | Blood coagulation factor XIV | Coagulation factor V | Coagulation factor V heavy chain | Coagulation factor V light chain | Endothelial protein C receptor | PROC | PROC_HUMAN | Proaccelerin, labile factor | Vitamin K-dependent protein C precursor
Type:
Enzyme
Mol. Mass.:
52067.73
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
461
Sequence:
MWQLTSLLLFVATWGISGTPAPLDSVFSSSERAHQVLRIRKRANSFLEELRHSSLERECIEEICDFEEAKEIFQNVDDTLAFWSKHVDGDQCLVLPLEHPCASLCCGHGTCIDGIGSFSCDCRSGWEGRFCQREVSFLNCSLDNGGCTHYCLEEVGWRRCSCAPGYKLGDDLLQCHPAVKFPCGRPWKRMEKKRSHLKRDTEDQEDQVDPRLIDGKMTRRGDSPWQVVLLDSKKKLACGAVLIHPSWVLTAAHCMDESKKLLVRLGEYDLRRWEKWELDLDIKEVFVHPNYSKSTTDNDIALLHLAQPATLSQTIVPICLPDSGLAERELNQAGQETLVTGWGYHSSREKEAKRNRTFVLNFIKIPVVPHNECSEVMSNMVSENMLCAGILGDRQDACEGDSGGPMVASFHGTWFLVGLVSWGEGCGLLHNYGVYTKVSRYLDWIHGHIRDKEAPQKSWAP
  
Inhibitor
Name:
BDBM50459059
Synonyms:
CHEMBL4217043
Type:
Small organic molecule
Emp. Form.:
C17H23N9O2
Mol. Mass.:
385.4236
SMILES:
COc1ncc(cn1)-c1nc(C(=O)NC(N)=N)c(N)nc1N1CCCCCC1
Structure:
Search PDB for entries with ligand similarity: