BDBM50234227 CHEMBL4071311

SMILES: CN(C)CCCC1(OCc2ccccc12)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=XHCMUOJNYGMCOY-UHFFFAOYSA-N

Data: 3 IC50  3 EC50

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 6 hits for monomerid = 50234227   

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))	BDBM50234227 (CHEMBL4071311) Show SMILES CN(C)CCCC1(OCc2ccccc12)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H21Cl2NO/c1-22(2)9-5-8-19(15-10-16(20)12-17(21)11-15)18-7-4-3-6-14(18)13-23-19/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...				Bioorg Med Chem Lett 27: 470-478 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234227 (CHEMBL4071311) Show SMILES CN(C)CCCC1(OCc2ccccc12)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H21Cl2NO/c1-22(2)9-5-8-19(15-10-16(20)12-17(21)11-15)18-7-4-3-6-14(18)13-23-19/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...				Bioorg Med Chem Lett 27: 470-478 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234227 (CHEMBL4071311) Show SMILES CN(C)CCCC1(OCc2ccccc12)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H21Cl2NO/c1-22(2)9-5-8-19(15-10-16(20)12-17(21)11-15)18-7-4-3-6-14(18)13-23-19/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234227 (CHEMBL4071311) Show SMILES CN(C)CCCC1(OCc2ccccc12)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H21Cl2NO/c1-22(2)9-5-8-19(15-10-16(20)12-17(21)11-15)18-7-4-3-6-14(18)13-23-19/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234227 (CHEMBL4071311) Show SMILES CN(C)CCCC1(OCc2ccccc12)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H21Cl2NO/c1-22(2)9-5-8-19(15-10-16(20)12-17(21)11-15)18-7-4-3-6-14(18)13-23-19/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50234227 (CHEMBL4071311) Show SMILES CN(C)CCCC1(OCc2ccccc12)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H21Cl2NO/c1-22(2)9-5-8-19(15-10-16(20)12-17(21)11-15)18-7-4-3-6-14(18)13-23-19/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...				Bioorg Med Chem Lett 27: 470-478 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair