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BDBM50488093 CHEMBL2282651

SMILES: CC1=C2NC[C@H]3[C@@H]4CC[C@H](C(=O)NC(C)(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O

InChI Key: InChIKey=WKVCWVDKNDNMPA-LBOBVIFKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50488093   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50488093
PNG
(CHEMBL2282651)
Show SMILES CC1=C2NC[C@H]3[C@@H]4CC[C@H](C(=O)NC(C)(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C24H38N2O2/c1-14-19(27)10-12-24(6)17-9-11-23(5)16(15(17)13-25-20(14)24)7-8-18(23)21(28)26-22(2,3)4/h15-18,25H,7-13H2,1-6H3,(H,26,28)/t15-,16-,17-,18+,23-,24+/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) Steroid 5-alpha-reductase type 2


Citation and Details

Article DOI: 10.1007/s00044-012-0006-1
BindingDB Entry DOI: 10.7270/Q29889WK
More data for this
Ligand-Target Pair