null
SMILES: CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
InChI Key: InChIKey=XMAYWYJOQHXEEK-ZEQKJWHPSA-N
PDB links: 2 PDB IDs match this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Lanosterol 14-alpha demethylase (Rattus norvegicus) | BDBM31768 (CHEMBL295698 | Ketoconazole | Nizoral | Panfungol) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research Curated by ChEMBL | Assay Description Inhibition of Progesterone 21-hydroxylase cytochrome P450 21 | J Med Chem 35: 2818-25 (1992) BindingDB Entry DOI: 10.7270/Q24Q7SZT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid 21-hydroxylase (Homo sapiens (Human)) | BDBM31768 (CHEMBL295698 | Ketoconazole | Nizoral | Panfungol) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 1.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research Curated by ChEMBL | Assay Description Inhibition of cytochrome P450 progesterone 2-alpha-hydroxylase | J Med Chem 35: 2818-25 (1992) BindingDB Entry DOI: 10.7270/Q24Q7SZT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin G/H synthase 1/2 (Bos taurus) | BDBM31768 (CHEMBL295698 | Ketoconazole | Nizoral | Panfungol) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | >7.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Du Pont Merck Pharmaceutical Company Curated by ChEMBL | Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis | J Med Chem 35: 3148-55 (1992) BindingDB Entry DOI: 10.7270/Q2V69HJ7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM31768 (CHEMBL295698 | Ketoconazole | Nizoral | Panfungol) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of CYP3A4M in human liver microsomes using midazolam as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysis | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01015 BindingDB Entry DOI: 10.7270/Q2057KRW | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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