BDBM50310648 (S)-2,5-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)benzamide::CHEMBL1077647

SMILES: CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)ccc1Cl

InChI Key: InChIKey=UAOCSOBBQYATOV-LBPRGKRZSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50310648   

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 serotonin transporter (Homo sapiens (Human))	BDBM50310648 ((S)-2,5-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...) Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)ccc1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-7-11(16)3-4-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	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]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting				Bioorg Med Chem Lett 19: 5078-81 (2009) Article DOI: 10.1016/j.bmcl.2009.07.049 BindingDB Entry DOI: 10.7270/Q2JQ115V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50310648 ((S)-2,5-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...) Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)ccc1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-7-11(16)3-4-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	198	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]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting				Bioorg Med Chem Lett 19: 5078-81 (2009) Article DOI: 10.1016/j.bmcl.2009.07.049 BindingDB Entry DOI: 10.7270/Q2JQ115V
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50310648 ((S)-2,5-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...) Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)ccc1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-7-11(16)3-4-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.43E+3	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]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting				Bioorg Med Chem Lett 19: 5078-81 (2009) Article DOI: 10.1016/j.bmcl.2009.07.049 BindingDB Entry DOI: 10.7270/Q2JQ115V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50310648 ((S)-2,5-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...) Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)ccc1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-7-11(16)3-4-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/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	1.98E+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 human ERG				Bioorg Med Chem Lett 19: 5078-81 (2009) Article DOI: 10.1016/j.bmcl.2009.07.049 BindingDB Entry DOI: 10.7270/Q2JQ115V
					More data for this Ligand-Target Pair