Reaction Details Report a problem with these data
Target
Activin receptor type-1 [172-499]
Ligand
BDBM451771
Substrate
n/a
Meas. Tech.
Caliper 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:
BDBM451771
Synonyms:
US10710980, Example 3 | US10947218, Example 3
Type:
Small organic molecule
Emp. Form.:
C25H32N4O3
Mol. Mass.:
436.5466
SMILES:
C[C@@H](N1CC2(COC2)C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:25.28,wD:28.32,1.0,(5.34,-3.47,;5.34,-1.93,;6.67,-1.16,;8.16,-1.55,;8.56,-.07,;10.05,-.46,;10.45,1.02,;8.96,1.42,;7.07,.33,;4.01,-1.16,;2.67,-1.93,;1.34,-1.16,;1.34,.39,;2.67,1.16,;4.01,.39,;.01,1.16,;.01,2.7,;-1.33,3.47,;-2.66,2.7,;-4,3.47,;-2.66,1.16,;-1.33,.39,;-4,.39,;-4,-1.16,;-5.33,1.16,;-6.66,.39,;-6.53,-1.15,;-7.79,-2.03,;-9.19,-1.38,;-10.45,-2.27,;-9.32,.15,;-8.06,1.04,)|
Structure:
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