BDBM50391846 CHEMBL2147041::US9133160, 31
SMILES: Cc1ccncc1-c1cccc2n(CC(F)(F)F)cnc12
InChI Key: InChIKey=OFFVLUDFSIUVMI-UHFFFAOYSA-N
Data: 9 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 |
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Cytochrome P450 17A1 (Homo sapiens (Human)) | BDBM50391846 (CHEMBL2147041 | US9133160, 31) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | US Patent | n/a | n/a | 12 | n/a | n/a | n/a | n/a | 7.2 | 4 |
Bristol-Meyers Squibb Company US Patent | Assay Description The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as... | US Patent US9133160 (2015) BindingDB Entry DOI: 10.7270/Q2KD1WQK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 17A1 (Homo sapiens (Human)) | BDBM50391846 (CHEMBL2147041 | US9133160, 31) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development Curated by ChEMBL | Assay Description Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity... | ACS Med Chem Lett 7: 40-5 (2016) BindingDB Entry DOI: 10.7270/Q2TH8PK5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50391846 (CHEMBL2147041 | US9133160, 31) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development Curated by ChEMBL | Assay Description Inhibition of CYP1A2 (unknown origin) | ACS Med Chem Lett 7: 40-5 (2016) BindingDB Entry DOI: 10.7270/Q2TH8PK5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 17A1 (Homo sapiens (Human)) | BDBM50391846 (CHEMBL2147041 | US9133160, 31) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development Curated by ChEMBL | Assay Description Inhibition of CYP17A1 in human adrenal microsomes using [3H]-pregnenolone as substrate incubated for 90 mins by scintillation proximity assay in pres... | ACS Med Chem Lett 7: 40-5 (2016) BindingDB Entry DOI: 10.7270/Q2TH8PK5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 17A1 (Homo sapiens (Human)) | BDBM50391846 (CHEMBL2147041 | US9133160, 31) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of CYP17 transfected in human HEK2 cells using [3H]pregnenolone as substrate by SPA assay | ACS Med Chem Lett 3: 614-615 (2012) Article DOI: 10.1021/ml300157r BindingDB Entry DOI: 10.7270/Q2V125W6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid 17-alpha-hydroxylase/17,20 lyase (Macaca fascicularis) | BDBM50391846 (CHEMBL2147041 | US9133160, 31) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development Curated by ChEMBL | Assay Description Inhibition of CYP17A1 in cynomolgus monkey using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity assay in presence of... | ACS Med Chem Lett 7: 40-5 (2016) BindingDB Entry DOI: 10.7270/Q2TH8PK5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 21 (Homo sapiens (Human)) | BDBM50391846 (CHEMBL2147041 | US9133160, 31) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | >7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development Curated by ChEMBL | Assay Description Inhibition of CYP21A2 in human H295R cells using hydroxy progesterone as substrate incubated for 120 mins by LC-MS method | ACS Med Chem Lett 7: 40-5 (2016) BindingDB Entry DOI: 10.7270/Q2TH8PK5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human)) | BDBM50391846 (CHEMBL2147041 | US9133160, 31) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | >7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development Curated by ChEMBL | Assay Description Inhibition of CYP11B1 in human H295R cells using deoxycorticosterone as substrate incubated for 48 hrs by LC-MS method | ACS Med Chem Lett 7: 40-5 (2016) BindingDB Entry DOI: 10.7270/Q2TH8PK5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid 17-alpha-hydroxylase/17,20 lyase (Macaca fascicularis) | BDBM50391846 (CHEMBL2147041 | US9133160, 31) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development Curated by ChEMBL | Assay Description Inhibition of CYP17A1 in cynomolgus monkey adrenal microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity a... | ACS Med Chem Lett 7: 40-5 (2016) BindingDB Entry DOI: 10.7270/Q2TH8PK5 | |||||||||||
More data for this Ligand-Target Pair |