ChEMBL ligand: CHEMBL1397 (Noxafil, Noxafil powdermix kit, Posaconazol, (-)-posaconazole, Posaconazole, SCH 56592, SCH-56592)
14-alpha sterol demethylase in Neosartorya fumigata (Aspergillus fumigatus) [ChEMBL: CHEMBL1681624] [UniProtKB: Q96W81] There should be some charts here, you may need to enable JavaScript!
14-alpha sterol demethylase Cyp51A in Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSCA1100) (Aspergillus fumigatus) [ChEMBL: CHEMBL1681623] [UniProtKB: Q4WNT5] There should be some charts here, you may need to enable JavaScript!
CYP8B1/7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase in Human [ChEMBL: CHEMBL4523494] [GtoPdb: 1357] [UniProtKB: Q9UNU6] There should be some charts here, you may need to enable JavaScript!
ABCG2/ATP-binding cassette sub-family G member 2 in Human [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0] There should be some charts here, you may need to enable JavaScript!
Cytochrome P450 51 in Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) [ChEMBL: CHEMBL1780] [UniProtKB: P10613] There should be some charts here, you may need to enable JavaScript!
Lanosterol 14-alpha demethylase in Aspergillus [ChEMBL: CHEMBL3390824] [UniProtKB: A0A2P2HJL8, G4WW85, Q9P8R0] There should be some charts here, you may need to enable JavaScript!
Sterol 14-alpha demethylase in Trypanosoma cruzi (strain CL Brener) [ChEMBL: CHEMBL1075110] [UniProtKB: Q7Z1V1] There should be some charts here, you may need to enable JavaScript!

DB	Assay description	Assay Type	Standard value	Standard parameter	Original value	Original units	Original parameter	Reference
14-alpha sterol demethylase in Neosartorya fumigata (Aspergillus fumigatus) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1681624] [UniProtKB: Q96W81]
ChEMBL	Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme B expressed in Escherichia coli assessed as tight binding affinity constant	B	7.14	pKd	73	nM	Kd	Antimicrob Agents Chemother (2010) 54: 4225-4234 [PMID:20660663]
14-alpha sterol demethylase Cyp51A in Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSCA1100) (Aspergillus fumigatus) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1681623] [UniProtKB: Q4WNT5]
ChEMBL	Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme A expressed in Escherichia coli	B	5.57	pKd	2690	nM	Kd	Antimicrob Agents Chemother (2010) 54: 4225-4234 [PMID:20660663]
CYP8B1/7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523494] [GtoPdb: 1357] [UniProtKB: Q9UNU6]
ChEMBL	Inhibition of CYP8B1 in human liver microsomes using D7-7alpha-hydroxy-4-cholesten-3-one as substrate preincubated for 20 mins followed by substrate addition in presence of NADPH by UPLC-ESI-MS/MS analysis	B	5.42	pIC50	3800	nM	IC50	WO-2014018375-A1. Cyp8b1 and uses thereof in therapeutic and diagnostic methods (2014)
ABCG2/ATP-binding cassette sub-family G member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0]
ChEMBL	Inhibition of ABCG2 (unknown origin) expressed in human HEK293 cells membrane vesicles assessed inhibition of BCRP- mediated transport of 3[H]-E1S for 1 mins using [3H]-estrone sulfate as substrate by liquid scintillation counter analysis	B	5.22	pIC50	6000	nM	IC50	Eur J Med Chem (2022) 237: 114346-114346 [PMID:35483322]
Cytochrome P450 51 in Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1780] [UniProtKB: P10613]
ChEMBL	Binding affinity to Candida albicans CYP51 by spectral titration method	B	7.09	pKd	81	nM	Kd	J Med Chem (2018) 61: 5679-5691 [PMID:29894182]
Lanosterol 14-alpha demethylase in Aspergillus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3390824] [UniProtKB: A0A2P2HJL8, G4WW85, Q9P8R0]
ChEMBL	Binding affinity to Aspergillus fumigatus CYP51 by spectral titration method	B	6.88	pKd	131	nM	Kd	J Med Chem (2018) 61: 5679-5691 [PMID:29894182]
Sterol 14-alpha demethylase in Trypanosoma cruzi (strain CL Brener) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075110] [UniProtKB: Q7Z1V1]
ChEMBL	Binding affinity to Trypanosoma cruzi recombinant full length CYP51 by spectrophotometric analysis	B	7.22	pKd	60	nM	Kd	J Med Chem (2013) 56: 2556-2567 [PMID:23448316]
ChEMBL	Binding affinity to full length Trypanosoma cruzi Tulahuen C4 C-terminal His-tagged CYP51 expressed in Escherichia coli HMS174 (DE3) assessed as induction of shift in Soret band by spectrophotometry	B	7.74	pKd	18	nM	Kd	Bioorg Med Chem Lett (2020) 30: 126778-126778 [PMID:31706668]
ChEMBL	Inhibition of recombinant Trypanosoma cruzi Tulahuen strain CYP51 expressed in Escherichia coli JM109	B	6.06	pIC50	880	nM	IC50	Bioorg Med Chem (2022) 58: 116577-116577 [PMID:35189560]
ChEMBL	Inhibition of recombinant Trypanosoma cruzi Tulahuen CYP51 expressed in Escherichia coli JM109 cell membranes assessed as inhibition of microbe growth by fluorescence based analysis	B	7.32	pIC50	48	nM	IC50	Eur J Med Chem (2018) 149: 257-268 [PMID:29501946]

ChEMBL data shown on this page come from version 35:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]