Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM303811
Substrate
n/a
Meas. Tech.
Measurement of FXIa Inhibition
IC50
4.50±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:
BDBM303811
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-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-phenylpropanamide (Stereoisomer Mixture) | US10138236, Example 29
Type:
Small organic molecule
Emp. Form.:
C32H26ClN5O4
Mol. Mass.:
580.033
SMILES:
Clc1ccc2CC3(CC3)NC(=O)c3cn(C(Cc4ccccc4)C(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)c(=O)cc3-c2c1 |$;;;;;;;;;HN;;;;;;;;;;;;;;;;HN;;;;;;;;HN;;;;;;;;$|
Structure:
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