BindingDB PrimarySearch

BDBM50216671 CHEMBL247828::tert-butyl (R)-1-((R)-1-isopropyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylamino)-1-oxo-3-(2-(trifluoromethoxy)phenyl)propan-2-ylcarbamate

SMILES: CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)C1=O

InChI Key: InChIKey=JDORNNHHHQXMCA-NHCUHLMSSA-N

Data: 1 KI 5 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50216671
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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50216671 (CHEMBL247828 \| tert-butyl (R)-1-((R)-1-isopropyl-2...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human inactive state Nav1.7 by whole cell electrophysiology				Bioorg Med Chem Lett 17: 4630-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.076 BindingDB Entry DOI: 10.7270/Q2HX1CCF
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50216671 (CHEMBL247828 \| tert-butyl (R)-1-((R)-1-isopropyl-2...) 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	35	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human sodium channel Nav1.7 by FRET assay				Bioorg Med Chem Lett 17: 6172-7 (2007) Article DOI: 10.1016/j.bmcl.2007.09.032 BindingDB Entry DOI: 10.7270/Q2X92B00
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50216671 (CHEMBL247828 \| tert-butyl (R)-1-((R)-1-isopropyl-2...) 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	35	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human NaV1.7 channel expressed in HEK293 cells by FRET assay				Bioorg Med Chem Lett 23: 3640-5 (2013) Article DOI: 10.1016/j.bmcl.2013.03.121 BindingDB Entry DOI: 10.7270/Q2W098VM
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Calcium channel (Type L) (Homo sapiens (Human))	BDBM50216671 (CHEMBL247828 \| tert-butyl (R)-1-((R)-1-isopropyl-2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]diltiazem from human Cav1.2 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 4630-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.076 BindingDB Entry DOI: 10.7270/Q2HX1CCF
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50216671 (CHEMBL247828 \| tert-butyl (R)-1-((R)-1-isopropyl-2...) 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	35	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 sodium channel expressed in HEK293 cells by FRET assay				Bioorg Med Chem Lett 18: 1963-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.123 BindingDB Entry DOI: 10.7270/Q24T6J4T
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50216671 (CHEMBL247828 \| tert-butyl (R)-1-((R)-1-isopropyl-2...) 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	35	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Blockade of human Nav1.7 by FRET assay				Bioorg Med Chem Lett 17: 4630-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.076 BindingDB Entry DOI: 10.7270/Q2HX1CCF
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair