Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCarbonyl reductase [NADPH] 1
LigandBDBM50543402
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1989079 (CHEMBL4622626)
IC50 370±n/a nM
Citation Endo, SOguri, HSegawa, JKawai, MHu, DXia, SOkada, TIrie, KFujii, SGouda, HIguchi, KMatsukawa, TFujimoto, NNakayama, TToyooka, NMatsunaga, TIkari, A Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer. J Med Chem63:10396-10411 (2020) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Carbonyl reductase [NADPH] 1
Name:Carbonyl reductase [NADPH] 1
Synonyms:CBR | CBR1 | CBR1_HUMAN | CRN | SDR21C1
Type:PROTEIN
Mol. Mass.:30380.63
Organism:Homo sapiens (Human)
Description:ChEMBL_607770
Residue:277
Sequence:
MSSGIHVALVTGGNKGIGLAIVRDLCRLFSGDVVLTARDVTRGQAAVQQLQAEGLSPRFH
QLDIDDLQSIRALRDFLRKEYGGLDVLVNNAGIAFKVADPTPFHIQAEVTMKTNFFGTRD
VCTELLPLIKPQGRVVNVSSIMSVRALKSCSPELQQKFRSETITEEELVGLMNKFVEDTK
KGVHQKEGWPSSAYGVTKIGVTVLSRIHARKLSEQRKGDKILLNACCPGWVRTDMAGPKA
TKSPEEGAETPVYLALLPPDAEGPHGQFVSEKRVEQW
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50543402
n/a
NameBDBM50543402
Synonyms:CHEMBL4634960
TypeSmall organic molecule
Emp. Form.C16H11FN2O3
Mol. Mass.298.2685
SMILESOc1cccc2cc(C(=O)Nc3cccc(F)c3)c(=N)oc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: