BindingDB PrimarySearch

BDBM50254513 5-amino-N-(2-((N-ethyl-2,6-difluorobenzamido)methyl)-3,3,3-trifluoro-2-hydroxypropyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide::CHEMBL467633

SMILES: CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F

InChI Key: InChIKey=PEUFWNJXEBOKMU-UHFFFAOYSA-N

Data: 6 IC50 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50254513
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50254513 (5-amino-N-(2-((N-ethyl-2,6-difluorobenzamido)methy...) Show SMILES Show InChI	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	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 19: 158-62 (2008) Article DOI: 10.1016/j.bmcl.2008.10.128 BindingDB Entry DOI: 10.7270/Q2XS5V79
Medicines Research Centre Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50254513 (5-amino-N-(2-((N-ethyl-2,6-difluorobenzamido)methy...) Show SMILES Show InChI	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	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 19: 158-62 (2008) Article DOI: 10.1016/j.bmcl.2008.10.128 BindingDB Entry DOI: 10.7270/Q2XS5V79
Medicines Research Centre Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50254513 (5-amino-N-(2-((N-ethyl-2,6-difluorobenzamido)methy...) Show SMILES Show InChI	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	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 19: 158-62 (2008) Article DOI: 10.1016/j.bmcl.2008.10.128 BindingDB Entry DOI: 10.7270/Q2XS5V79
Medicines Research Centre Curated by ChEMBL					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50254513 (5-amino-N-(2-((N-ethyl-2,6-difluorobenzamido)methy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.94	n/a	n/a	n/a	n/a	n/a	n/a
Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 19: 158-62 (2008) Article DOI: 10.1016/j.bmcl.2008.10.128 BindingDB Entry DOI: 10.7270/Q2XS5V79
Medicines Research Centre Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50254513 (5-amino-N-(2-((N-ethyl-2,6-difluorobenzamido)methy...) Show SMILES Show InChI	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 19: 158-62 (2008) Article DOI: 10.1016/j.bmcl.2008.10.128 BindingDB Entry DOI: 10.7270/Q2XS5V79
Medicines Research Centre Curated by ChEMBL					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50254513 (5-amino-N-(2-((N-ethyl-2,6-difluorobenzamido)methy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.94	n/a	n/a	n/a	n/a
Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay				Bioorg Med Chem Lett 19: 158-62 (2008) Article DOI: 10.1016/j.bmcl.2008.10.128 BindingDB Entry DOI: 10.7270/Q2XS5V79
Medicines Research Centre Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50254513 (5-amino-N-(2-((N-ethyl-2,6-difluorobenzamido)methy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 19: 158-62 (2008) Article DOI: 10.1016/j.bmcl.2008.10.128 BindingDB Entry DOI: 10.7270/Q2XS5V79
Medicines Research Centre Curated by ChEMBL					More data for this Ligand-Target Pair