Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM303799
Substrate
n/a
Meas. Tech.
Measurement of FXIa Inhibition
IC50
44.0±n/a nM
Citation
 Röhrig, S; Hillisch, A; Heitmeier, S; Schmidt, MV; Schlemmer, K; Tersteegen, A; Schäfer, M; Teller, H; Jimènez Nùnez, E Factor xia-inhibiting pyridobenzazepine and pyridobenzazocine derivatives US Patent  US10138236 Publication Date 11/27/2018 
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:
BDBM303799
Synonyms:
2-(11′-Chloro-2′,5′-dioxo-2′,5′,6′,8′-tetrahydro-3′H-spiro[cyclopropane-1,7′-pyrido[3,4-e][3]benzazocine]-3′-yl)-N-(imidazo[1,2-a]pyridin-6-yl)-4-methoxybutanamide (Stereoisomer Mixture) | US10138236, Example 17
Type:
Small organic molecule
Emp. Form.:
C28H26ClN5O4
Mol. Mass.:
531.99
SMILES:
COCCC(C(=O)Nc1ccc2nccn2c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Structure:
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