Reaction Details  Report a problem with these data
Target
Activin receptor type-1 [172-499,R206H]
Ligand
BDBM451837
Substrate
n/a
Meas. Tech.
Caliper Assay
IC50
26.0±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,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:
BDBM451837
Synonyms:
US10710980, Example 66 | US10947218, Example 66
Type:
Small organic molecule
Emp. Form.:
C26H32F2N4O2
Mol. Mass.:
470.5547
SMILES:
Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C(CF)CF |r,wU:10.10,25.27,wD:13.14,23.25,(-4.37,5.62,;-3.04,4.85,;-1.71,5.62,;-.37,4.85,;-.37,3.31,;-1.71,2.54,;-3.04,3.31,;-4.37,2.54,;-5.71,3.31,;-4.37,1,;-5.71,.23,;-5.71,-1.31,;-7.04,-2.08,;-8.38,-1.31,;-9.71,-2.08,;-8.38,.23,;-7.04,1,;.96,2.54,;.96,1,;2.29,.23,;3.63,1,;3.63,2.54,;2.29,3.31,;4.96,.23,;4.96,1.77,;6.37,1.07,;7.4,-.29,;6.63,-1.62,;5.12,-1.3,;7.4,-2.95,;8.94,-2.95,;9.71,-4.29,;6.63,-4.29,;7.4,-5.62,)|
Structure:
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