| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Estrogen receptor |
|---|
| Ligand | BDBM368199 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1921879 (CHEMBL4424724) |
|---|
| IC50 | 0.030000±n/a nM |
|---|
| 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 |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Estrogen receptor |
|---|
| Name: | Estrogen receptor |
|---|
| 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 |
|---|
| Type: | Protein |
|---|
| Mol. Mass.: | 66230.44 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | P03372 |
|---|
| Residue: | 595 |
|---|
| Sequence: | MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAY
EFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPF
LQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAK
ETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQAC
RLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKR
SKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINW
AKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEG
MVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLD
KITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLL
LEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
|
|
|
|---|
| BDBM368199 |
|---|
| n/a |
|---|
| Name | BDBM368199 |
|---|
| Synonyms: | (S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol | US10227334, Example 3 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C28H28FNO4 |
|---|
| Mol. Mass. | 461.5246 |
|---|
| SMILES | CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cccc(O)c1 |r,t:1| |
|---|
| Structure | 
|
|---|
Search and Browse
