BDBM50203332 CHEMBL3913908
SMILES: CCS(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
InChI Key: InChIKey=FBQIPVXKJHLUFJ-ZEQKJWHPSA-N
Data: 5 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 21 (Homo sapiens (Human)) | BDBM50203332 (CHEMBL3913908) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 271 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy Curated by ChEMBL | Assay Description Inhibition of recombinant CYP21 (unknown origin) overexpressed in human AD293 cells assessed as reduction in 11-deoxycortisol formation preincubated ... | Bioorg Med Chem Lett 26: 5825-5829 (2016) Article DOI: 10.1016/j.bmcl.2016.10.016 BindingDB Entry DOI: 10.7270/Q2X63PW4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 19A1 (Homo sapiens (Human)) | BDBM50203332 (CHEMBL3913908) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy Curated by ChEMBL | Assay Description Inhibition of Cyp19 (unknown origin) | Bioorg Med Chem Lett 26: 5825-5829 (2016) Article DOI: 10.1016/j.bmcl.2016.10.016 BindingDB Entry DOI: 10.7270/Q2X63PW4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human)) | BDBM50203332 (CHEMBL3913908) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy Curated by ChEMBL | Assay Description Inhibition of recombinant CYP11B1 (unknown origin) overexpressed in human AD293 cells assessed as reduction in cortisol formation preincubated for 60... | Bioorg Med Chem Lett 26: 5825-5829 (2016) Article DOI: 10.1016/j.bmcl.2016.10.016 BindingDB Entry DOI: 10.7270/Q2X63PW4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 17A1 (Homo sapiens (Human)) | BDBM50203332 (CHEMBL3913908) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 0.730 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy Curated by ChEMBL | Assay Description Inhibition of recombinant CYP17 (unknown origin) overexpressed in human AD293 cells using [21-3H]17alpha-hydroxyl-pregenolone as substrate preincubat... | Bioorg Med Chem Lett 26: 5825-5829 (2016) Article DOI: 10.1016/j.bmcl.2016.10.016 BindingDB Entry DOI: 10.7270/Q2X63PW4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50203332 (CHEMBL3913908) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 162 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy Curated by ChEMBL | Assay Description Inhibition of human Cyp3A4 using testosterone as substrate by LC-MS/MS analysis | Bioorg Med Chem Lett 26: 5825-5829 (2016) Article DOI: 10.1016/j.bmcl.2016.10.016 BindingDB Entry DOI: 10.7270/Q2X63PW4 | |||||||||||
More data for this Ligand-Target Pair |