BDBM50262466 (S)-N-(2,3,4-trichlorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide::CHEMBL477374

SMILES: CC(C)C(=O)N(Cc1ccc(Cl)c(Cl)c1Cl)[C@H]1CCNC1

InChI Key: InChIKey=FFWMVMYKTQEBAE-NSHDSACASA-N

Data: 5 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 = 50262466   

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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50262466 ((S)-N-(2,3,4-trichlorobenzyl)-N-(pyrrolidin-3-yl)i...) Show SMILES CC(C)C(=O)N(Cc1ccc(Cl)c(Cl)c1Cl)[C@H]1CCNC1 |r| Show InChI InChI=1S/C15H19Cl3N2O/c1-9(2)15(21)20(11-5-6-19-7-11)8-10-3-4-12(16)14(18)13(10)17/h3-4,9,11,19H,5-8H2,1-2H3/t11-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.76E+4	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 (unknown origin)				Bioorg Med Chem Lett 18: 4308-11 (2008) Article DOI: 10.1016/j.bmcl.2008.06.078 BindingDB Entry DOI: 10.7270/Q2Q2401S
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262466 ((S)-N-(2,3,4-trichlorobenzyl)-N-(pyrrolidin-3-yl)i...) Show SMILES CC(C)C(=O)N(Cc1ccc(Cl)c(Cl)c1Cl)[C@H]1CCNC1 |r| Show InChI InChI=1S/C15H19Cl3N2O/c1-9(2)15(21)20(11-5-6-19-7-11)8-10-3-4-12(16)14(18)13(10)17/h3-4,9,11,19H,5-8H2,1-2H3/t11-/m0/s1	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	>6.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG potassium channel				Bioorg Med Chem Lett 18: 4308-11 (2008) Article DOI: 10.1016/j.bmcl.2008.06.078 BindingDB Entry DOI: 10.7270/Q2Q2401S
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50262466 ((S)-N-(2,3,4-trichlorobenzyl)-N-(pyrrolidin-3-yl)i...) Show SMILES CC(C)C(=O)N(Cc1ccc(Cl)c(Cl)c1Cl)[C@H]1CCNC1 |r| Show InChI InChI=1S/C15H19Cl3N2O/c1-9(2)15(21)20(11-5-6-19-7-11)8-10-3-4-12(16)14(18)13(10)17/h3-4,9,11,19H,5-8H2,1-2H3/t11-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting				Bioorg Med Chem Lett 18: 4308-11 (2008) Article DOI: 10.1016/j.bmcl.2008.06.078 BindingDB Entry DOI: 10.7270/Q2Q2401S
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50262466 ((S)-N-(2,3,4-trichlorobenzyl)-N-(pyrrolidin-3-yl)i...) Show SMILES CC(C)C(=O)N(Cc1ccc(Cl)c(Cl)c1Cl)[C@H]1CCNC1 |r| Show InChI InChI=1S/C15H19Cl3N2O/c1-9(2)15(21)20(11-5-6-19-7-11)8-10-3-4-12(16)14(18)13(10)17/h3-4,9,11,19H,5-8H2,1-2H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting				Bioorg Med Chem Lett 18: 4308-11 (2008) Article DOI: 10.1016/j.bmcl.2008.06.078 BindingDB Entry DOI: 10.7270/Q2Q2401S
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50262466 ((S)-N-(2,3,4-trichlorobenzyl)-N-(pyrrolidin-3-yl)i...) Show SMILES CC(C)C(=O)N(Cc1ccc(Cl)c(Cl)c1Cl)[C@H]1CCNC1 |r| Show InChI InChI=1S/C15H19Cl3N2O/c1-9(2)15(21)20(11-5-6-19-7-11)8-10-3-4-12(16)14(18)13(10)17/h3-4,9,11,19H,5-8H2,1-2H3/t11-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]DA reuptake at human dopamine transporter expressed in HEK293 cells by scintillation counting				Bioorg Med Chem Lett 18: 4308-11 (2008) Article DOI: 10.1016/j.bmcl.2008.06.078 BindingDB Entry DOI: 10.7270/Q2Q2401S
					More data for this Ligand-Target Pair