Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM32688
Substrate
n/a
Meas. Tech.
Factor XIa Dose Response Confirmation
IC50
6255.59±355.443 nM
Citation
 PubChem, PC Factor XIa 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:
BDBM32688
Synonyms:
MLS000124092 | SMR000124538 | [1-(3-Chloro-4-methoxy-benzenesulfonyl)-piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)-methanone | [1-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone | [1-(3-chloro-4-methoxy-phenyl)sulfonyl-4-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone | [1-(3-chloro-4-methoxyphenyl)sulfonyl-4-piperidinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone | [1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone | cid_1093376
Type:
Small organic molecule
Emp. Form.:
C22H25ClN2O4S
Mol. Mass.:
448.963
SMILES:
COc1ccc(cc1Cl)S(=O)(=O)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
Structure:
Search PDB for entries with ligand similarity: