Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM33005
Substrate
Boc-Glu-Ala-Arg-AMC
Meas. Tech.
Factor XIa 1536 HTS Dose Response Confirmation
pH
7.4±n/a
Temperature
296.15±n/a K
IC50
>50000±0 nM
Citation
 PubChem, PC Factor XIa 1536 HTS Dose Response Confirmation PubChem Bioassay (2008)[AID] 
Target
Name:
Coagulation factor XI
Synonyms:
Coagulation factor XIa | Coagulation factor XIa heavy chain | Coagulation factor XIa light chain | F11 | FA11_HUMAN | FXI | Factor XIa | Factor XIa (fXIa) | PTA | Plasma thromboplastin antecedent
Type:
Enzyme
Mol. Mass.:
70130.58
Organism:
Homo sapiens (Human)
Description:
P03951
Residue:
625
Sequence:
MIFLYQVVHFILFTSVSGECVTQLLKDTCFEGGDITTVFTPSAKYCQVVCTYHPRCLLFTFTAESPSEDPTRWFTCVLKDSVTETLPRVNRTAAISGYSFKQCSHQISACNKDIYVDLDMKGINYNSSVAKSAQECQERCTDDVHCHFFTYATRQFPSLEHRNICLLKHTQTGTPTRITKLDKVVSGFSLKSCALSNLACIRDIFPNTVFADSNIDSVMAPDAFVCGRICTHHPGCLFFTFFSQEWPKESQRNLCLLKTSESGLPSTRIKKSKALSGFSLQSCRHSIPVFCHSSFYHDTDFLGEELDIVAAKSHEACQKLCTNAVRCQFFTYTPAQASCNEGKGKCYLKLSSNGSPTKILHGRGGISGYTLRLCKMDNECTTKIKPRIVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPICLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV
  
Inhibitor
Name:
BDBM33005
Synonyms:
(E)-2-(1H-Benzoimidazol-2-yl)-3-pyridin-3-yl-acrylonitrile | (E)-2-(1H-benzimidazol-2-yl)-3-(3-pyridinyl)-2-propenenitrile | (E)-2-(1H-benzimidazol-2-yl)-3-(3-pyridyl)acrylonitrile | (E)-2-(1H-benzimidazol-2-yl)-3-pyridin-3-yl-prop-2-enenitrile | (E)-2-(1H-benzimidazol-2-yl)-3-pyridin-3-ylprop-2-enenitrile | MLS000767656 | SMR000429985 | cid_5705794
Type:
Small organic molecule
Emp. Form.:
C15H10N4
Mol. Mass.:
246.2667
SMILES:
N#C\C(=C/c1cccnc1)c1nc2ccccc2[nH]1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Boc-Glu-Ala-Arg-AMC
Synonyms:
n/a
Type:
fluorescent substrate peptide
Mol. Mass.:
358.43
Organism:
n/a
Description:
n/a
Residue:
3
Sequence:
NA