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Target
Bone morphogenetic protein receptor type-1B
Ligand
BDBM451831
Substrate
n/a
Meas. Tech.
Caliper Assay
IC50
6300±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:
Bone morphogenetic protein receptor type-1B
Synonyms:
ALK-6 | ALK6 | BMPR1B | BMR1B_HUMAN | Bone morphogenetic protein receptor type-1B (BMPR1B)
Type:
Enzyme
Mol. Mass.:
56939.41
Organism:
Homo sapiens (Human)
Description:
O00238
Residue:
502
Sequence:
MLLRSAGKLNVGTKKEDGESTAPTPRPKVLRCKCHHHCPEDSVNNICSTDGYCFTMIEEDDSGLPVVTSGCLGLEGSDFQCRDTPIPHQRRSIECCTERNECNKDLHPTLPPLKNRDFVDGPIHHRALLISVTVCSLLLVLIILFCYFRYKRQETRPRYSIGLEQDETYIPPGESLRDLIEQSQSSGSGSGLPLLVQRTIAKQIQMVKQIGKGRYGEVWMGKWRGEKVAVKVFFTTEEASWFRETEIYQTVLMRHENILGFIAADIKGTGSWTQLYLITDYHENGSLYDYLKSTTLDAKSMLKLAYSSVSGLCHLHTEIFSTQGKPAIAHRDLKSKNILVKKNGTCCIADLGLAVKFISDTNEVDIPPNTRVGTKRYMPPEVLDESLNRNHFQSYIMADMYSFGLILWEVARRCVSGGIVEEYQLPYHDLVPSDPSYEDMREIVCIKKLRPSFPNRWSSDECLRQMGKLMTECWAHNPASRLTALRVKKTLAKMSESQDIKL
  
Inhibitor
Name:
BDBM451831
Synonyms:
US10710980, Example 60 | US10947218, Example 60
Type:
Small organic molecule
Emp. Form.:
C27H32N4O2
Mol. Mass.:
444.5686
SMILES:
CC#CCN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.29,8.11,wD:29.33,6.6,(10.86,-4.29,;9.32,-4.29,;7.78,-4.29,;6.24,-4.29,;5.47,-2.95,;6.24,-1.62,;5.21,-.26,;3.81,.44,;3.81,-1.1,;3.97,-2.63,;2.47,-.33,;1.14,-1.1,;-.19,-.33,;-.19,1.21,;1.14,1.98,;2.47,1.21,;-1.53,1.98,;-1.53,3.52,;-2.86,4.29,;-4.2,3.52,;-5.53,4.29,;-4.2,1.98,;-2.86,1.21,;-5.53,1.21,;-6.86,1.98,;-5.53,-.33,;-6.86,-1.1,;-6.86,-2.64,;-8.2,-3.41,;-9.53,-2.64,;-10.86,-3.41,;-9.53,-1.1,;-8.2,-.33,)|
Structure:
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