BDBM50340407 (3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)phenyl)-N-(3-(2-methoxyethoxy)-5-(3-methoxypropyl)benzyl)piperidine-3-carboxamide::CHEMBL1761519
SMILES: COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCOC)c1
InChI Key: InChIKey=XFJSBMXXKPHIIX-NOCHOARKSA-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)) | BDBM50340407 ((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 80 | 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 21: 2430-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.067 BindingDB Entry DOI: 10.7270/Q2G16157 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50340407 ((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 800 | 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 Inhibition of human ERG | Bioorg Med Chem Lett 21: 3970-5 (2011) Article DOI: 10.1016/j.bmcl.2011.05.013 BindingDB Entry DOI: 10.7270/Q2PN9608 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50340407 ((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.0210 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of human recombinant renin in PBS buffer using tetradecapeptide at pH 7.4 | Bioorg Med Chem Lett 21: 2430-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.067 BindingDB Entry DOI: 10.7270/Q2G16157 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50340407 ((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.40 | 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 in human citrated-plasma | Bioorg Med Chem Lett 21: 2430-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.067 BindingDB Entry DOI: 10.7270/Q2G16157 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50340407 ((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.16E+4 | 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 CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high thro... | Bioorg Med Chem Lett 21: 2430-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.067 BindingDB Entry DOI: 10.7270/Q2G16157 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50340407 ((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.40E+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 CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high thro... | Bioorg Med Chem Lett 21: 2430-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.067 BindingDB Entry DOI: 10.7270/Q2G16157 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50340407 ((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.0200 | 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 renin in human plasma using Q-FRET substrate pretreated for 10 mins before substrate addition measured after 1 hr | Bioorg Med Chem Lett 21: 3970-5 (2011) Article DOI: 10.1016/j.bmcl.2011.05.013 BindingDB Entry DOI: 10.7270/Q2PN9608 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50340407 ((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5 | 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 renin in human plasma using Q-FRET substrate pretreated for 10 mins before substrate addition measured after 1 hr | Bioorg Med Chem Lett 21: 3970-5 (2011) Article DOI: 10.1016/j.bmcl.2011.05.013 BindingDB Entry DOI: 10.7270/Q2PN9608 | |||||||||||
More data for this Ligand-Target Pair |