Reaction Details Report a problem with these data
Target
Bone morphogenetic protein receptor type-1A
Ligand
BDBM518173
Substrate
n/a
Meas. Tech.
ChEMBL_2212884 (CHEMBL5125833)
IC50
538±n/a nM
Citation
 Nguyen, MH; Atasoylu, O; Wu, L; Kapilashrami, K; Pusey, M; Gallagher, K; Lai, CT; Zhao, P; Barbosa, J; Liu, K; He, C; Zhang, C; Styduhar, ED; Witten, MR; Chen, Y; Lin, L; Yang, YO; Covington, M; Diamond, S; Yeleswaram, S; Yao, W Discovery of Novel Pyrazolopyrimidines as Potent, Selective, and Orally Bioavailable Inhibitors of ALK2. ACS Med Chem Lett 13:1159-1164 (2022) [PubMed] 
Target
Name:
Bone morphogenetic protein receptor type-1A
Synonyms:
ACVRLK3 | ALK3 | Activin receptor-like kinase 3 (ALK-3) | BMPR1A | BMR1A_HUMAN
Type:
Enzyme
Mol. Mass.:
60204.46
Organism:
Homo sapiens (Human)
Description:
P36894
Residue:
532
Sequence:
MPQLYIYIRLLGAYLFIISRVQGQNLDSMLHGTGMKSDSDQKKSENGVTLAPEDTLPFLKCYCSGHCPDDAINNTCITNGHCFAIIEEDDQGETTLASGCMKYEGSDFQCKDSPKAQLRRTIECCRTNLCNQYLQPTLPPVVIGPFFDGSIRWLVLLISMAVCIIAMIIFSSCFCYKHYCKSISSRRRYNRDLEQDEAFIPVGESLKDLIDQSQSSGSGSGLPLLVQRTIAKQIQMVRQVGKGRYGEVWMGKWRGEKVAVKVFFTTEEASWFRETEIYQTVLMRHENILGFIAADIKGTGSWTQLYLITDYHENGSLYDFLKCATLDTRALLKLAYSAACGLCHLHTEIYGTQGKPAIAHRDLKSKNILIKKNGSCCIADLGLAVKFNSDTNEVDVPLNTRVGTKRYMAPEVLDESLNKNHFQPYIMADIYSFGLIIWEMARRCITGGIVEEYQLPYYNMVPSDPSYEDMREVVCVKRLRPIVSNRWNSDECLRAVLKLMSECWAHNPASRLTALRIKKTLAKMVESQDVKI
  
Inhibitor
Name:
BDBM518173
Synonyms:
US11111247, Example 9
Type:
Small organic molecule
Emp. Form.:
C26H36N10O
Mol. Mass.:
504.6304
SMILES:
C[C@@H]1CN(CCN1)c1ccc(cn1)-c1n[nH]c2cnc(nc12)N1[C@@H](C)CN(C[C@H]1C)C(=O)N1CCCC1 |r|
Structure:
Search PDB for entries with ligand similarity: