Reaction Details | |||
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Target | 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 2 | ||
Ligand | BDBM50329316 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_675395 (CHEMBL1273475) | ||
IC50 | >10000±n/a nM | ||
Citation | Tice, CM; Zhao, W; Krosky, PM; Kruk, BA; Berbaum, J; Johnson, JA; Bukhtiyarov, Y; Panemangalore, R; Scott, BB; Zhao, Y; Bruno, JG; Howard, L; Togias, J; Ye, YJ; Singh, SB; McKeever, BM; Lindblom, PR; Guo, J; Guo, R; Nar, H; Schuler-Metz, A; Gregg, RE; Leftheris, K; Harrison, RK; McGeehan, GM; Zhuang, L; Claremon, DA Discovery and optimization of adamantyl carbamate inhibitors of 11ß-HSD1. Bioorg Med Chem Lett20:6725-9 (2010) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 2 | |||
Name: | 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 2 | ||
Synonyms: | 3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type II | 3BHS2_HUMAN | HSD3B2 | HSDB3B | ||
Type: | PROTEIN | ||
Mol. Mass.: | 42057.22 | ||
Organism: | Homo sapiens (Human) | ||
Description: | ChEMBL_768821 | ||
Residue: | 372 | ||
Sequence: |
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BDBM50329316 | |||
n/a | |||
Name | BDBM50329316 | ||
Synonyms: | (R)-3-(5-Cyano-pyridin-2-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester | CHEMBL1270001 | ||
Type | Small organic molecule | ||
Emp. Form. | C22H27N5O3 | ||
Mol. Mass. | 409.4815 | ||
SMILES | NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1ccc(cn1)C#N)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:29:8.7.9,6:7:4.5.28:29,THB:9:7:4:28.27.29,9:27:4:8.6.7,10:9:4.5.28:29,(23.78,-45.32,;25.12,-44.54,;25.13,-43,;26.46,-45.32,;25.26,-46.6,;26.77,-46.18,;28.17,-46.74,;29.18,-45.46,;27.79,-45.81,;29.2,-43.94,;30.54,-43.18,;31.86,-43.96,;31.85,-45.5,;33.2,-43.2,;33.23,-41.66,;34.7,-41.21,;35.59,-42.47,;34.66,-43.7,;37.13,-42.49,;37.92,-41.17,;39.46,-41.2,;40.25,-39.88,;39.5,-38.54,;37.95,-38.51,;37.17,-39.84,;40.29,-37.21,;41.08,-35.89,;27.8,-43.36,;26.76,-44.59,;26.45,-43.84,)| | ||
Structure |