BDBM50125049 CHEMBL3623830
SMILES: CCC(=O)N[C@@H]1CCCc2c1cncc2-c1ccc(cc1)C#N
InChI Key: InChIKey=ITXORCJLPUUDIY-GOSISDBHSA-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 11B2 (CYP11B2) (Homo sapiens (Human)) | BDBM50125049 (CHEMBL3623830) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL | Assay Description Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste... | J Med Chem 58: 8054-65 (2015) BindingDB Entry DOI: 10.7270/Q2K0763C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 11B2, mitochondrial (Mus musculus) | BDBM50125049 (CHEMBL3623830) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL | Assay Description Inhibition of mouse CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste... | J Med Chem 58: 8054-65 (2015) BindingDB Entry DOI: 10.7270/Q2K0763C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50125049 (CHEMBL3623830) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL | Assay Description Inhibition of CYP2C9 (unknown origin) | J Med Chem 58: 8054-65 (2015) BindingDB Entry DOI: 10.7270/Q2K0763C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50125049 (CHEMBL3623830) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL | Assay Description Inhibition of CYP2D6 (unknown origin) | J Med Chem 58: 8054-65 (2015) BindingDB Entry DOI: 10.7270/Q2K0763C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50125049 (CHEMBL3623830) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL | Assay Description Inhibition of CYP3A4 (unknown origin) | J Med Chem 58: 8054-65 (2015) BindingDB Entry DOI: 10.7270/Q2K0763C | |||||||||||
More data for this Ligand-Target Pair |