BDBM50297087 (S)-N-isobutyl-2-phenoxy-N-(pyrrolidin-3-yl)benzamide::CHEMBL558651

SMILES: CC(C)CN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1

InChI Key: InChIKey=HPPVWRRONLIBLV-KRWDZBQOSA-N

Data: 3 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50297087   

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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50297087 ((S)-N-isobutyl-2-phenoxy-N-(pyrrolidin-3-yl)benzam...) Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C21H26N2O2/c1-16(2)15-23(17-12-13-22-14-17)21(24)19-10-6-7-11-20(19)25-18-8-4-3-5-9-18/h3-11,16-17,22H,12-15H2,1-2H3/t17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human recombinant NET expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 4579-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.096 BindingDB Entry DOI: 10.7270/Q2NV9J96
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50297087 ((S)-N-isobutyl-2-phenoxy-N-(pyrrolidin-3-yl)benzam...) Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C21H26N2O2/c1-16(2)15-23(17-12-13-22-14-17)21(24)19-10-6-7-11-20(19)25-18-8-4-3-5-9-18/h3-11,16-17,22H,12-15H2,1-2H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human recombinant SERT expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 4579-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.096 BindingDB Entry DOI: 10.7270/Q2NV9J96
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50297087 ((S)-N-isobutyl-2-phenoxy-N-(pyrrolidin-3-yl)benzam...) Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C21H26N2O2/c1-16(2)15-23(17-12-13-22-14-17)21(24)19-10-6-7-11-20(19)25-18-8-4-3-5-9-18/h3-11,16-17,22H,12-15H2,1-2H3/t17-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant DAT expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 4579-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.096 BindingDB Entry DOI: 10.7270/Q2NV9J96
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297087 ((S)-N-isobutyl-2-phenoxy-N-(pyrrolidin-3-yl)benzam...) Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C21H26N2O2/c1-16(2)15-23(17-12-13-22-14-17)21(24)19-10-6-7-11-20(19)25-18-8-4-3-5-9-18/h3-11,16-17,22H,12-15H2,1-2H3/t17-/m0/s1	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	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG				Bioorg Med Chem Lett 19: 4579-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.096 BindingDB Entry DOI: 10.7270/Q2NV9J96
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50297087 ((S)-N-isobutyl-2-phenoxy-N-(pyrrolidin-3-yl)benzam...) Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C21H26N2O2/c1-16(2)15-23(17-12-13-22-14-17)21(24)19-10-6-7-11-20(19)25-18-8-4-3-5-9-18/h3-11,16-17,22H,12-15H2,1-2H3/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 4579-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.096 BindingDB Entry DOI: 10.7270/Q2NV9J96
					More data for this Ligand-Target Pair