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Target
Activin receptor type-1 [172-499]
Ligand
BDBM451776
Substrate
n/a
Meas. Tech.
ADPGlo Assay
IC50
13.0±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  US10710980 Publication Date 7/14/2020 
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:
BDBM451776
Synonyms:
US10710980, Example 8 | US10947218, Example 8
Type:
Small organic molecule
Emp. Form.:
C25H34FN5O2
Mol. Mass.:
455.5682
SMILES:
CC(C)N1CCN(CC1)c1ccc(c(F)c1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.28,wD:29.32,(10.76,-2.31,;9.43,-3.08,;9.43,-4.62,;8.09,-2.31,;6.76,-3.08,;5.43,-2.31,;5.43,-.77,;6.76,,;8.09,-.77,;4.09,,;2.76,-.77,;1.43,,;1.43,1.54,;2.76,2.31,;2.76,3.83,;4.09,1.54,;.09,2.31,;.09,3.85,;-1.24,4.62,;-2.57,3.85,;-3.91,4.62,;-2.57,2.31,;-1.24,1.54,;-3.91,1.54,;-3.91,,;-5.24,2.31,;-6.58,1.54,;-6.71,.01,;-8.11,-.64,;-9.37,.24,;-10.76,-.41,;-9.23,1.77,;-7.84,2.42,)|
Structure:
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