| Reaction Details |
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 | Report a problem with these data |
| Target | Activin receptor type-1 |
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| Ligand | BDBM50544399 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1992434 (CHEMBL4626169) |
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| IC50 | 3.0±n/a nM |
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| Citation |  Smil, D; Wong, JF; Williams, EP; Adamson, RJ; Howarth, A; McLeod, DA; Mamai, A; Kim, S; Wilson, BJ; Kiyota, T; Aman, A; Owen, J; Poda, G; Horiuchi, KY; Kuznetsova, E; Ma, H; Hamblin, JN; Cramp, S; Roberts, OG; Edwards, AM; Uehling, D; Al-Awar, R; Bullock, AN; O'Meara, JA; Isaac, MB Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma. J Med Chem63:10061-10085 (2020) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Activin receptor type-1 |
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| Name: | Activin receptor type-1 |
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| Synonyms: | 2.7.11.30 | ACTR-I | ACVR1 | ACVR1_HUMAN | ACVRLK2 | ALK-2 | ALK2/ACVR1 | Activin receptor type I | Activin receptor-like kinase 2 | Activin receptor-like kinase 2 (ALK-2) | Activin receptor-like kinase 2 (ALK2/ACVR1) | Q04771 | SKR1 | Serine/threonine-protein kinase receptor R1 | TGF-B superfamily receptor type I | TSR-I |
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| Type: | n/a |
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| Mol. Mass.: | 57158.32 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 509 |
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| Sequence: | MVDGVMILPVLIMIALPSPSMEDEKPKVNPKLYMCVCEGLSCGNEDHCEGQQCFSSLSIN
DGFHVYQKGCFQVYEQGKMTCKTPPSPGQAVECCQGDWCNRNITAQLPTKGKSFPGTQNF
HLEVGLIILSVVFAVCLLACLLGVALRKFKRRNQERLNPRDVEYGTIEGLITTNVGDSTL
ADLLDHSCTSGSGSGLPFLVQRTVARQITLLECVGKGRYGEVWRGSWQGENVAVKIFSSR
DEKSWFRETELYNTVMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTL
DTVSCLRIVLSIASGLAHLHIEIFGTQGKPAIAHRDLKSKNILVKKNGQCCIADLGLAVM
HSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEVARRMVS
NGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNRWFSDPTLTSLAKLMKECWYQ
NPSARLTALRIKKTLTKIDNSLDKLKTDC
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| BDBM50544399 |
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| n/a |
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| Name | BDBM50544399 |
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| Synonyms: | CHEMBL4638273 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H26N4O3 |
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| Mol. Mass. | 430.4989 |
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| SMILES | COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C#N |
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| Structure | 
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