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BDBM50023361 Cta018::LUNACALCIPOL::Lunacalcipol

SMILES: [H][C@@]12CC=C([C@H](C)C\C=C\S(=O)(=O)C(C)(C)C)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C

InChI Key: InChIKey=RFQHCLMGLJGZNV-UXXOMSPDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50023361   
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 24A1


(Homo sapiens (Human))		BDBM50023361
PNG
(Cta018 | LUNACALCIPOL | Lunacalcipol)
Show SMILES [H][C@@]12CC=C([C@H](C)C\C=C\S(=O)(=O)C(C)(C)C)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C |r,t:3|
Show InChI InChI=1S/C28H42O4S/c1-19(9-8-16-33(31,32)27(3,4)5)24-13-14-25-21(10-7-15-28(24,25)6)11-12-22-17-23(29)18-26(30)20(22)2/h8,11-13,16,19,23,25-26,29-30H,2,7,9-10,14-15,17-18H2,1,3-6H3/b16-8+,21-11+,22-12-/t19-,23-,25+,26+,28-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...

J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair