Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM32682
Substrate
Boc-Glu-Ala-Arg-AMC
Meas. Tech.
Factor XIa Dose Response Confirmation from Single Well Screen
pH
7.4±n/a
Temperature
296.15±n/a K
IC50
744.137±117.506 nM
Citation
 PubChem, PC Factor XIa Dose Response Confirmation from Single Well Screen 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:
BDBM32682
Synonyms:
1-methyl-4-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-5-pyrrolo[3,2-b]pyrrolecarboxylic acid ethyl ester | 4-Methyl-1-[2-(4-methyl-piperidin-1-yl)-2-oxo-ethyl]-1,4-dihydro-pyrrolo[3,2-b]pyrrole-2-carboxylic acid ethyl ester | 4-[2-keto-2-(4-methylpiperidino)ethyl]-1-methyl-pyrrolo[3,2-b]pyrrole-5-carboxylic acid ethyl ester | MLS000122506 | SMR000119964 | cid_1438801 | ethyl 1-methyl-4-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate | ethyl 1-methyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate
Type:
Small organic molecule
Emp. Form.:
C18H25N3O3
Mol. Mass.:
331.4094
SMILES:
CCOC(=O)c1cc2n(C)ccc2n1CC(=O)N1CCC(C)CC1
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