| Reaction Details |
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 | Report a problem with these data |
| Target | Estrogen receptor |
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| Ligand | BDBM50532101 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1921879 (CHEMBL4424724) |
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| IC50 | 0.024000±n/a nM |
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| Citation |  Zhang, B; Kiefer, JR; Blake, RA; Chang, JH; Hartman, S; Ingalla, ER; Kleinheinz, T; Mody, V; Nannini, M; Ortwine, DF; Ran, Y; Sambrone, A; Sampath, D; Vinogradova, M; Zhong, Y; Nwachukwu, JC; Nettles, KW; Lai, T; Liao, J; Zheng, X; Chen, H; Wang, X; Liang, J Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha. Bioorg Med Chem Lett29:905-911 (2019) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Estrogen receptor |
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| Name: | Estrogen receptor |
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| Synonyms: | ER | ER-alpha | ESR | ESR1 | ESR1_HUMAN | Estradiol receptor | Estrogen receptor | Estrogen receptor (ER alpha) | Estrogen receptor (ER-alpha) | Estrogen receptor alpha (ER alpha) | Estrogen receptor alpha (ER) | NR3A1 | Nuclear receptor subfamily 3 group A member 1 |
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| Type: | Protein |
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| Mol. Mass.: | 66230.44 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P03372 |
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| Residue: | 595 |
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| Sequence: | MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAY
EFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPF
LQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAK
ETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQAC
RLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKR
SKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINW
AKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEG
MVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLD
KITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLL
LEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
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| BDBM50532101 |
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| n/a |
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| Name | BDBM50532101 |
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| Synonyms: | CHEMBL4439408 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H28FNO5 |
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| Mol. Mass. | 489.5347 |
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| SMILES | Oc1ccc2C3=C(CCOc2c1)c1cc(O)ccc1OC3c1ccc(OCCN2CC(CF)C2)cc1 |c:5| |
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| Structure | 
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