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SMILES: C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccccc1C(F)(F)F

InChI Key: InChIKey=GPGLGVIBAVITFL-NKJVGWOCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50032784   
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
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50032784
PNG
((4aR,6aS)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,...)
Show SMILES C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccccc1C(F)(F)F |c:12|
Show InChI InChI=1S/C26H31F3N2O2/c1-24-13-11-17-15(7-10-21-25(17,2)14-12-22(32)31-21)16(24)8-9-19(24)23(33)30-20-6-4-3-5-18(20)26(27,28)29/h3-6,12,14-17,19,21H,7-11,13H2,1-2H3,(H,30,33)(H,31,32)/t15?,16?,17?,19?,21?,24-,25+/m0/s1
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 5.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Steroid 5-alpha-reductase type I

J Med Chem 38: 3189-92 (1995)


BindingDB Entry DOI: 10.7270/Q2G161G8
More data for this
Ligand-Target Pair