BindingDB PrimarySearch

BDBM50299546 3-{3-Cyano-4-[((2R)-3-{[1,1-dimethyl-2-(2-naphthalenyl)ethyl]-amino}-2-hydroxypropyl)oxy]phenyl}propanoic Acid::CHEMBL570593

SMILES: CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccc(CCC(O)=O)cc1C#N

InChI Key: InChIKey=BKMZXLKUUMOTKA-XMMPIXPASA-N

Data: 8 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50299546
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
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50299546 (3-{3-Cyano-4-[((2R)-3-{[1,1-dimethyl-2-(2-naphthal...) Show SMILES Show InChI	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	>30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of beta2 adrenergic receptor				J Med Chem 52: 6599-605 (2009) Article DOI: 10.1021/jm900563e BindingDB Entry DOI: 10.7270/Q2WM1FB4
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Calcium-sensing receptor (CaSR) (Homo sapiens (Human))	BDBM50299546 (3-{3-Cyano-4-[((2R)-3-{[1,1-dimethyl-2-(2-naphthal...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0220	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H](2-(2-hydroxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)-4(3H)-pyrimidinone) from human calcium receptor expressed in h...				J Med Chem 52: 6599-605 (2009) Article DOI: 10.1021/jm900563e BindingDB Entry DOI: 10.7270/Q2WM1FB4
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50299546 (3-{3-Cyano-4-[((2R)-3-{[1,1-dimethyl-2-(2-naphthal...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NET				J Med Chem 52: 6599-605 (2009) Article DOI: 10.1021/jm900563e BindingDB Entry DOI: 10.7270/Q2WM1FB4
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50299546 (3-{3-Cyano-4-[((2R)-3-{[1,1-dimethyl-2-(2-naphthal...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of DAT				J Med Chem 52: 6599-605 (2009) Article DOI: 10.1021/jm900563e BindingDB Entry DOI: 10.7270/Q2WM1FB4
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50299546 (3-{3-Cyano-4-[((2R)-3-{[1,1-dimethyl-2-(2-naphthal...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 52: 6599-605 (2009) Article DOI: 10.1021/jm900563e BindingDB Entry DOI: 10.7270/Q2WM1FB4
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50299546 (3-{3-Cyano-4-[((2R)-3-{[1,1-dimethyl-2-(2-naphthal...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0230	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of SERT				J Med Chem 52: 6599-605 (2009) Article DOI: 10.1021/jm900563e BindingDB Entry DOI: 10.7270/Q2WM1FB4
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Calcium-sensing receptor (CaSR) (Homo sapiens (Human))	BDBM50299546 (3-{3-Cyano-4-[((2R)-3-{[1,1-dimethyl-2-(2-naphthal...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human calcium receptor expressed in HEK293 4.0-7 cells assessed as inhibition of intracellular calcium release by FLIPR assay				J Med Chem 52: 6599-605 (2009) Article DOI: 10.1021/jm900563e BindingDB Entry DOI: 10.7270/Q2WM1FB4
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50299546 (3-{3-Cyano-4-[((2R)-3-{[1,1-dimethyl-2-(2-naphthal...) Show SMILES Show InChI	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	33	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 52: 6599-605 (2009) Article DOI: 10.1021/jm900563e BindingDB Entry DOI: 10.7270/Q2WM1FB4
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair