BDBM50373281 CHEMBL402441

SMILES: NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1ccc2OCCOc2c1

InChI Key: InChIKey=GRFLLIUZAGYUSO-HNAYVOBHSA-N

Data: 3 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 3 hits for monomerid = 50373281   

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))	BDBM50373281 (CHEMBL402441) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1ccc2OCCOc2c1 Show InChI InChI=1S/C19H20N2O3/c1-3-7-21(8-4-2)18(22)19(12-15(19)13-20)14-5-6-16-17(11-14)24-10-9-23-16/h1-2,5-6,11,15H,7-10,12-13,20H2/t15-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Bioscience, Inc. Curated by ChEMBL					Assay Description Inhibition of human SERT				Bioorg Med Chem Lett 18: 3328-32 (2008) Article DOI: 10.1016/j.bmcl.2008.04.025 BindingDB Entry DOI: 10.7270/Q21V5FTK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50373281 (CHEMBL402441) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1ccc2OCCOc2c1 Show InChI InChI=1S/C19H20N2O3/c1-3-7-21(8-4-2)18(22)19(12-15(19)13-20)14-5-6-16-17(11-14)24-10-9-23-16/h1-2,5-6,11,15H,7-10,12-13,20H2/t15-,19+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Bioscience, Inc. Curated by ChEMBL					Assay Description Inhibition of human DAT				Bioorg Med Chem Lett 18: 3328-32 (2008) Article DOI: 10.1016/j.bmcl.2008.04.025 BindingDB Entry DOI: 10.7270/Q21V5FTK
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50373281 (CHEMBL402441) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1ccc2OCCOc2c1 Show InChI InChI=1S/C19H20N2O3/c1-3-7-21(8-4-2)18(22)19(12-15(19)13-20)14-5-6-16-17(11-14)24-10-9-23-16/h1-2,5-6,11,15H,7-10,12-13,20H2/t15-,19+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Bioscience, Inc. Curated by ChEMBL					Assay Description Inhibition of human NET				Bioorg Med Chem Lett 18: 3328-32 (2008) Article DOI: 10.1016/j.bmcl.2008.04.025 BindingDB Entry DOI: 10.7270/Q21V5FTK
					More data for this Ligand-Target Pair