BDBM50310645 (S)-2,3-dichloro-N-(pentan-3-yl)-N-(pyrrolidin-3-yl)benzamide::CHEMBL1080969

SMILES: CCC(CC)N([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl

InChI Key: InChIKey=PMZYRKGBQBCWOA-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 = 50310645   

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))	BDBM50310645 ((S)-2,3-dichloro-N-(pentan-3-yl)-N-(pyrrolidin-3-y...) Show SMILES CCC(CC)N([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C16H22Cl2N2O/c1-3-11(4-2)20(12-8-9-19-10-12)16(21)13-6-5-7-14(17)15(13)18/h5-7,11-12,19H,3-4,8-10H2,1-2H3/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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))	BDBM50310645 ((S)-2,3-dichloro-N-(pentan-3-yl)-N-(pyrrolidin-3-y...) Show SMILES CCC(CC)N([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C16H22Cl2N2O/c1-3-11(4-2)20(12-8-9-19-10-12)16(21)13-6-5-7-14(17)15(13)18/h5-7,11-12,19H,3-4,8-10H2,1-2H3/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	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))	BDBM50310645 ((S)-2,3-dichloro-N-(pentan-3-yl)-N-(pyrrolidin-3-y...) Show SMILES CCC(CC)N([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C16H22Cl2N2O/c1-3-11(4-2)20(12-8-9-19-10-12)16(21)13-6-5-7-14(17)15(13)18/h5-7,11-12,19H,3-4,8-10H2,1-2H3/t12-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+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))	BDBM50310645 ((S)-2,3-dichloro-N-(pentan-3-yl)-N-(pyrrolidin-3-y...) Show SMILES CCC(CC)N([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C16H22Cl2N2O/c1-3-11(4-2)20(12-8-9-19-10-12)16(21)13-6-5-7-14(17)15(13)18/h5-7,11-12,19H,3-4,8-10H2,1-2H3/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	7.74E+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				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