BDBM213825 VNI
SMILES: Clc1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)c(Cl)c1
InChI Key: InChIKey=CJPLMXOWZZCYHJ-QHCPKHFHSA-N
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
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Sterol 14-alpha demethylase (Trypanosoma cruzi) | BDBM213825 (VNI) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 15 | n/a | n/a | n/a | 7.4 | 37 |
Vanderbilt University | Assay Description Briefly, the reaction mixture contained 1 uM CYP51, 2 uM cytochrome P450 reductase, 100 uM dilauroyl-alpha-phosphatidylcholine, 0.4 mg/ml isoctrate d... | J Biol Chem 288: 31602-15 (2013) Article DOI: 10.1074/jbc.M113.497990 BindingDB Entry DOI: 10.7270/Q24F1PKM | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Lanosterol 14-alpha demethylase (Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM213825 (VNI) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Binding affinity to Candida albicans CYP51 by spectral titration method | J Med Chem 61: 5679-5691 (2018) Article DOI: 10.1021/acs.jmedchem.8b00641 BindingDB Entry DOI: 10.7270/Q26H4KX9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Putative lanosterol 14-alpha-demethylase (Leishmania infantum) | BDBM213825 (VNI) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Binding affinity to Leishmania infantum CYP51 expressed in Escherichia coli | J Med Chem 61: 10910-10921 (2018) Article DOI: 10.1021/acs.jmedchem.8b01671 BindingDB Entry DOI: 10.7270/Q2VQ35B9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sterol 14-alpha demethylase (Trypanosoma cruzi) | BDBM213825 (VNI) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Binding affinity to Trypanosoma cruzi Y CYP51A expressed in Escherichia coli | J Med Chem 61: 10910-10921 (2018) Article DOI: 10.1021/acs.jmedchem.8b01671 BindingDB Entry DOI: 10.7270/Q2VQ35B9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Lanosterol 14-alpha demethylase (Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM213825 (VNI) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description Inhibition of Candida albicans CYP51 assessed as reduction in [3-3H]lanosterol 14alpha-demethylation preincubated for 60 secs followed by NADPH addit... | J Med Chem 61: 5679-5691 (2018) Article DOI: 10.1021/acs.jmedchem.8b00641 BindingDB Entry DOI: 10.7270/Q26H4KX9 | |||||||||||
More data for this Ligand-Target Pair |