Reaction Details Report a problem with these data
Target
Activin receptor type-1 [172-499,R206H]
Ligand
BDBM451772
Substrate
n/a
Meas. Tech.
Caliper Assay
IC50
7.00±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,R206H]
Synonyms:
ACVR1 | ACVR1_HUMAN | ACVRLK2 | Activin receptor type-1 (ALK2 FOP) (R206H aa 172-499) | Activin receptor type-1 (ALK2)(FOP)(R206H)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
37120.09
Organism:
Homo sapiens (Human)
Description:
aa 172-499
Residue:
328
Sequence:
TTNVGDSTLADLLDHSCTSGSGSGLPFLVQRTVAHQITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNTVMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVSCLRIVLSIASGLAHLHIEIFGTQGKPAIAHRDLKSKNILVKKNGQCCIADLGLAVMHSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID
  
Inhibitor
Name:
BDBM451772
Synonyms:
US10710980, Example 4 | US10947218, Example 4
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:1.0,25.28,wD:28.32,(5.54,-3.46,;5.54,-1.92,;6.88,-1.16,;8.36,-1.55,;8.76,-.07,;10.25,-.46,;10.65,1.02,;9.16,1.42,;7.27,.33,;4.21,-1.16,;2.87,-1.92,;1.54,-1.16,;1.54,.38,;2.87,1.16,;4.21,.38,;.21,1.16,;.21,2.7,;-1.13,3.46,;-2.46,2.7,;-3.79,3.46,;-2.46,1.16,;-1.13,.38,;-3.79,.38,;-3.79,-1.16,;-5.13,1.16,;-6.46,.38,;-6.6,-1.15,;-7.99,-1.8,;-9.25,-.92,;-10.65,-1.57,;-9.12,.62,;-7.72,1.27,)|
Structure:
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