Reaction Details Report a problem with these data
Target
Activin receptor type-1 [172-499]
Ligand
BDBM451847
Substrate
n/a
Meas. Tech.
ADPGlo Assay
IC50
11.0±n/a nM
Citation
 Arista, L; Babu, S; Bian, J; Cui, K; Dillon, MP; Lattmann, R; Li, J; Liao, L; Lizos, D; Ramos, R; Stiefl, NJ; Ullrich, T; Usselmann, P; Wang, X; Waykole, LM; Weiler, S; Zhang, Y; Zhou, Y; Zhu, T Aminopyridine derivatives and their use as selective ALK-2 inhibitors US Patent  US10947218 Publication Date 3/16/2021 
Target
Name:
Activin receptor type-1 [172-499]
Synonyms:
ACVR1 | ACVR1_HUMAN | ACVRLK2 | Activin receptor type-1 (ACVR1) | Activin receptor-like kinase 2 (ALK-2)(aa 172-499) | Activin receptor-like kinase 2 (ALK2)(172-499)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
37139.64
Organism:
Homo sapiens (Human)
Description:
aa 172-499
Residue:
328
Sequence:
TTNVGDSTLADLLDHSCTSGSGSGLPFLVQRTVARQITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNTVMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVSCLRIVLSIASGLAHLHIEIFGTQGKPAIAHRDLKSKNILVKKNGQCCIADLGLAVMHSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID
  
Inhibitor
Name:
BDBM451847
Synonyms:
US10710980, Example 75 | US10947218, Example 75
Type:
Small organic molecule
Emp. Form.:
C26H34N4O3
Mol. Mass.:
450.5732
SMILES:
COCCN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.29,8.11,wD:29.33,6.6,(10.48,-4.95,;8.94,-4.95,;8.17,-3.62,;6.63,-3.62,;5.86,-2.29,;6.63,-.95,;5.6,.19,;4.35,1.1,;4.19,-.44,;4.35,-1.97,;2.86,.33,;1.52,-.44,;.19,.33,;.19,1.87,;1.52,2.64,;2.86,1.87,;-1.14,2.64,;-1.14,4.18,;-2.48,4.95,;-3.81,4.18,;-5.14,4.95,;-3.81,2.64,;-2.48,1.87,;-5.14,1.87,;-6.48,2.64,;-5.14,.33,;-6.48,-.44,;-6.48,-1.98,;-7.81,-2.75,;-9.14,-1.98,;-10.48,-2.75,;-9.14,-.44,;-7.81,.33,)|
Structure:
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