BDBM50380978 CHEMBL2017103
SMILES: O[C@@]1(CCNC[C@@H]1c1cc(on1)-c1c(Cl)cccc1Cl)c1ccc(F)c(F)c1
InChI Key: InChIKey=FAYUIOXPYLILNE-ODXCJYRJSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50380978 (CHEMBL2017103) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9.80E+3 | 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 | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50380978 (CHEMBL2017103) | 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 | >9.50E+3 | 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 | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50380978 (CHEMBL2017103) | 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 | 1.70E+4 | 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)) | BDBM50380978 (CHEMBL2017103) | 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 | 1.33E+3 | 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 |