BDBM50356631 CHEMBL1914694

SMILES: CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Nc1ccnc(Br)c1

InChI Key: InChIKey=DGHITSOFNGOFOI-AFNJWWOFSA-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 = 50356631   

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))	BDBM50356631 (CHEMBL1914694) Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Nc1ccnc(Br)c1 |r,TLB:0:1:7.6.8:3.4| Show InChI InChI=1S/C20H21BrClN3O/c1-25-15-6-7-17(25)19(16(11-15)12-2-4-13(22)5-3-12)20(26)24-14-8-9-23-18(21)10-14/h2-5,8-10,15-17,19H,6-7,11H2,1H3,(H,23,24,26)/t15?,16-,17?,19+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	82	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))	BDBM50356631 (CHEMBL1914694) Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Nc1ccnc(Br)c1 |r,TLB:0:1:7.6.8:3.4| Show InChI InChI=1S/C20H21BrClN3O/c1-25-15-6-7-17(25)19(16(11-15)12-2-4-13(22)5-3-12)20(26)24-14-8-9-23-18(21)10-14/h2-5,8-10,15-17,19H,6-7,11H2,1H3,(H,23,24,26)/t15?,16-,17?,19+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.03E+4	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))	BDBM50356631 (CHEMBL1914694) Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Nc1ccnc(Br)c1 |r,TLB:0:1:7.6.8:3.4| Show InChI InChI=1S/C20H21BrClN3O/c1-25-15-6-7-17(25)19(16(11-15)12-2-4-13(22)5-3-12)20(26)24-14-8-9-23-18(21)10-14/h2-5,8-10,15-17,19H,6-7,11H2,1H3,(H,23,24,26)/t15?,16-,17?,19+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.21E+4	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