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BDBM50135864 CHEMBL3754729

SMILES: [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](OC(C)=O)C2=CCCC[C@]12C

InChI Key: InChIKey=OVURERDJMLXMHG-YBKKEEBTSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50135864   
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
Cytochrome P450 19A1


(Homo sapiens (Human))		BDBM50135864
PNG
(CHEMBL3754729)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](OC(C)=O)C2=CCCC[C@]12C |r,t:22|
Show InChI InChI=1S/C21H30O3/c1-13(22)24-18-12-14-15-7-8-19(23)21(15,3)11-9-16(14)20(2)10-5-4-6-17(18)20/h6,14-16,18H,4-5,7-12H2,1-3H3/t14-,15-,16-,18+,20+,21-/m0/s1
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 12n/an/an/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD

Eur J Med Chem 105: 1-38 (2015)


BindingDB Entry DOI: 10.7270/Q2W66NMZ
More data for this
Ligand-Target Pair