Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM285938
Substrate
n/a
Meas. Tech.
Factor XIa Assay
pH
7.4±n/a
IC50
0.800±n/a nM
Comments
extracted
Citation
 Mertz, E; Edmondson, SD; So, S; Sun, W; Liu, W; Neelamkavil, SF; Gao, Y; Hruza, A; Zang, Y; Ali, A; Mal, R; He, J; Kuang, R; Wu, H; Ogawa, AK; Nolting, AF Factor XIa inhibitors US Patent  US10081617 Publication Date 9/25/2018 
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:
BDBM285938
Synonyms:
US10081617, Example 85 | US10081617, Example 86 | methyl (4-{2-[3-(5-chloro-2- cyanophenyl)-7-hydroxy-4- methoxy-1-oxido-6,7-dihydro- 5H-cyclopenta[b]pyridin-7-yl]- 1H-imidazol-4- yl}phenyl)carbamate
Type:
Small organic molecule
Emp. Form.:
C27H22ClN5O5
Mol. Mass.:
531.947
SMILES:
COC(=O)Nc1ccc(cc1)-c1c[nH]c(n1)C1(O)CCc2c1[n+]([O-])cc(c2OC)-c1cc(Cl)ccc1C#N
Structure:
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