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BDBM50039273 (1S,9aR,11aS)-6-Bromo-9a,11a-dimethyl-1-(3-methyl-butyryl)-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-cyclopenta[i]phenanthridin-7-one::CHEMBL311045

SMILES: CC(C)CC(=O)[C@H]1CCC2C3CN=C4C(Br)C(=O)CC[C@]4(C)C3CC[C@]12C

InChI Key: InChIKey=SKUMRKIUNUEXKH-COGWQFDNSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50039273   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039273
PNG
((1S,9aR,11aS)-6-Bromo-9a,11a-dimethyl-1-(3-methyl-...)
Show SMILES CC(C)CC(=O)[C@H]1CCC2C3CN=C4C(Br)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C23H34BrNO2/c1-13(2)11-19(27)17-6-5-15-14-12-25-21-20(24)18(26)8-10-23(21,4)16(14)7-9-22(15,17)3/h13-17,20H,5-12H2,1-4H3/t14?,15?,16?,17-,20?,22+,23-/m1/s1
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 2 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039273
PNG
((1S,9aR,11aS)-6-Bromo-9a,11a-dimethyl-1-(3-methyl-...)
Show SMILES CC(C)CC(=O)[C@H]1CCC2C3CN=C4C(Br)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C23H34BrNO2/c1-13(2)11-19(27)17-6-5-15-14-12-25-21-20(24)18(26)8-10-23(21,4)16(14)7-9-22(15,17)3/h13-17,20H,5-12H2,1-4H3/t14?,15?,16?,17-,20?,22+,23-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.20n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 1 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair