Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM50183944
Substrate
n/a
Meas. Tech.
ChEMBL_364595 (CHEMBL854192)
IC50
>200000±n/a nM
Citation
Deng, H; Bannister, TD; Jin, L; Babine, RE; Quinn, J; Nagafuji, P; Celatka, CA; Lin, J; Lazarova, TI; Rynkiewicz, MJ; Bibbins, F; Pandey, P; Gorga, J; Meyers, HV; Abdel-Meguid, SS; Strickler, JE Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine. Bioorg Med Chem Lett 16:3049-54 (2006) [PubMed] Article
More Info.:
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:
BDBM50183944
Synonyms:
CHEMBL383007 | naphthalene-2-carboxylic acid [(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-amide
Type:
Small organic molecule
Emp. Form.:
C20H21N5O2S
Mol. Mass.:
395.478
SMILES:
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccc2ccccc2c1)-[#6](=O)-c1nccs1