BDBM50052641 CHEMBL3318586

SMILES: Clc1cccc(c1)-c1ccc(cc1)C(=O)N1C2CCC1CN(C2)c1ncccn1

InChI Key: InChIKey=FNHAFYQTHUKPIU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50052641   

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 proline transporter (Homo sapiens (Human))	BDBM50052641 (CHEMBL3318586) Show SMILES Clc1cccc(c1)-c1ccc(cc1)C(=O)N1C2CCC1CN(C2)c1ncccn1 |TLB:13:15:21.22.20:17.18,THB:23:21:15:17.18| Show InChI InChI=1S/C23H21ClN4O/c24-19-4-1-3-18(13-19)16-5-7-17(8-6-16)22(29)28-20-9-10-21(28)15-27(14-20)23-25-11-2-12-26-23/h1-8,11-13,20-21H,9-10,14-15H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Lexicon Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay				Bioorg Med Chem Lett 24: 3886-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.049 BindingDB Entry DOI: 10.7270/Q20C4XDG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50052641 (CHEMBL3318586) Show SMILES Clc1cccc(c1)-c1ccc(cc1)C(=O)N1C2CCC1CN(C2)c1ncccn1 |TLB:13:15:21.22.20:17.18,THB:23:21:15:17.18| Show InChI InChI=1S/C23H21ClN4O/c24-19-4-1-3-18(13-19)16-5-7-17(8-6-16)22(29)28-20-9-10-21(28)15-27(14-20)23-25-11-2-12-26-23/h1-8,11-13,20-21H,9-10,14-15H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lexicon Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of DAT (unknown origin)				Bioorg Med Chem Lett 24: 3886-90 (2014) Article DOI: 10.1016/j.bmcl.2014.06.049 BindingDB Entry DOI: 10.7270/Q20C4XDG
					More data for this Ligand-Target Pair