BDBM50356633 CHEMBL1914692

SMILES: CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Nc1cccc(Br)n1

InChI Key: InChIKey=LEESYDIUWLXOSV-DXCLHELWSA-N

Data: 3 KI

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 3 hits for monomerid = 50356633   

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 dopamine transporter (Homo sapiens (Human))	BDBM50356633 (CHEMBL1914692) Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Nc1cccc(Br)n1 |r,TLB:0:1:7.6.8:3.4| Show InChI InChI=1S/C20H21BrClN3O/c1-25-14-9-10-16(25)19(15(11-14)12-5-7-13(22)8-6-12)20(26)24-18-4-2-3-17(21)23-18/h2-8,14-16,19H,9-11H2,1H3,(H,23,24,26)/t14?,15-,16?,19+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Radiopharmaceuticals (Beijing Normal University) Curated by ChEMBL					Assay Description Displacement of [125I]-IPT from DAT transfected in pig LLC-PK1 cells by radioligand competition binding assay				Bioorg Med Chem Lett 21: 2962-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.051 BindingDB Entry DOI: 10.7270/Q2WM1DT0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50356633 (CHEMBL1914692) Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Nc1cccc(Br)n1 |r,TLB:0:1:7.6.8:3.4| Show InChI InChI=1S/C20H21BrClN3O/c1-25-14-9-10-16(25)19(15(11-14)12-5-7-13(22)8-6-12)20(26)24-18-4-2-3-17(21)23-18/h2-8,14-16,19H,9-11H2,1H3,(H,23,24,26)/t14?,15-,16?,19+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Radiopharmaceuticals (Beijing Normal University) Curated by ChEMBL					Assay Description Displacement of [125I]-IDAM from SERT transfected in pig LLC-PK1 cells by radioligand competition binding assay				Bioorg Med Chem Lett 21: 2962-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.051 BindingDB Entry DOI: 10.7270/Q2WM1DT0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50356633 (CHEMBL1914692) Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Nc1cccc(Br)n1 |r,TLB:0:1:7.6.8:3.4| Show InChI InChI=1S/C20H21BrClN3O/c1-25-14-9-10-16(25)19(15(11-14)12-5-7-13(22)8-6-12)20(26)24-18-4-2-3-17(21)23-18/h2-8,14-16,19H,9-11H2,1H3,(H,23,24,26)/t14?,15-,16?,19+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Radiopharmaceuticals (Beijing Normal University) Curated by ChEMBL					Assay Description Displacement of [125I]-INXT from NET transfected in pig LLC-PK1 cells by radioligand competition binding assay				Bioorg Med Chem Lett 21: 2962-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.051 BindingDB Entry DOI: 10.7270/Q2WM1DT0
					More data for this Ligand-Target Pair