BDBM50380993 CHEMBL2017107
SMILES: CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1C(C)=O
InChI Key: InChIKey=RZUAZHYCHPHTPG-IBVKSMDESA-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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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50380993 (CHEMBL2017107) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Binding affinity to human Erg | Bioorg Med Chem Lett 22: 2670-4 (2012) Article DOI: 10.1016/j.bmcl.2012.03.014 BindingDB Entry DOI: 10.7270/Q2MW2J5S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50380993 (CHEMBL2017107) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Reversible inhibition of CYP3A4-mediated conversion of testosterone to 6-beta-hydroxy-testosterone after 30 mins | Bioorg Med Chem Lett 22: 2670-4 (2012) Article DOI: 10.1016/j.bmcl.2012.03.014 BindingDB Entry DOI: 10.7270/Q2MW2J5S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50380993 (CHEMBL2017107) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.82 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of human recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by fluorescence analysis | Bioorg Med Chem Lett 22: 2670-4 (2012) Article DOI: 10.1016/j.bmcl.2012.03.014 BindingDB Entry DOI: 10.7270/Q2MW2J5S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50380993 (CHEMBL2017107) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of human recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate pretreated for 10 mins measured after 3 hrs ... | Bioorg Med Chem Lett 22: 2670-4 (2012) Article DOI: 10.1016/j.bmcl.2012.03.014 BindingDB Entry DOI: 10.7270/Q2MW2J5S | |||||||||||
More data for this Ligand-Target Pair |