Reaction Details |
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Target | Aldo-keto reductase family 1 member C3 |
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Ligand | BDBM50543412 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1989080 (CHEMBL4622627) |
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IC50 | 220±n/a nM |
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Citation | Endo, S; Oguri, H; Segawa, J; Kawai, M; Hu, D; Xia, S; Okada, T; Irie, K; Fujii, S; Gouda, H; Iguchi, K; Matsukawa, T; Fujimoto, N; Nakayama, T; Toyooka, N; Matsunaga, T; Ikari, A Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer. J Med Chem63:10396-10411 (2020) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Aldo-keto reductase family 1 member C3 |
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Name: | Aldo-keto reductase family 1 member C3 |
Synonyms: | 17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) | 3-alpha-HSD type 2 | AK1C3_HUMAN | AKR1C3 | Aldo-keto reductase family 1 member C3 | Aldo-keto reductase family 1 member C3 (AK1C3) | Aldo-keto reductase family 1 member C3 (AK1C3a) | Aldo-keto reductase family 1 member C3 (AKR1C3) | Aldo-keto-reductase family 1 member C3 | DDH1 | Dihydrodiol dehydrogenase 3 | Dihydrodiol dehydrogenase type I | Estradiol 17-beta-dehydrogenase | HSD17B5 | KIAA0119 | PGFS | Prostaglandin F synthase | Testosterone 17-beta-dehydrogenase 5 | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase |
Type: | Enzyme |
Mol. Mass.: | 36859.86 |
Organism: | Homo sapiens (Human) |
Description: | P42330 |
Residue: | 323 |
Sequence: | MDSKHQCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHIDSAHLYNNEEQ
VGLAIRSKIADGSVKREDIFYTSKLWSTFHRPELVRPALENSLKKAQLDYVDLYLIHSPM
SLKPGEELSPTDENGKVIFDIVDLCTTWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKP
GLKYKPVCNQVECHPYFNRSKLLDFCKSKDIVLVAYSALGSQRDKRWVDPNSPVLLEDPV
LCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTAEDMKAIDGLD
RNLHYFNSDSFASHPNYPYSDEY
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BDBM50543412 |
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n/a |
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Name | BDBM50543412 |
Synonyms: | CHEMBL4648687 |
Type | Small organic molecule |
Emp. Form. | C16H10F2N2O3 |
Mol. Mass. | 316.259 |
SMILES | Oc1cccc2cc(C(=O)Nc3ccc(F)c(F)c3)c(=N)oc12 |
Structure |
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