null

SMILES: CCCS(=O)(=O)NCCOc1ccc2CC[C@H](N)[C@H](Cc3ccc(Cl)c(Cl)c3)c2c1

InChI Key: InChIKey=DUECEVFEHFYWQB-KNQAVFIVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50368711   

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- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50368711 (CHEMBL4176494) Show SMILES CCCS(=O)(=O)NCCOc1ccc2CC[C@H](N)[C@H](Cc3ccc(Cl)c(Cl)c3)c2c1 |r| Show InChI InChI=1S/C22H28Cl2N2O3S/c1-2-11-30(27,28)26-9-10-29-17-6-4-16-5-8-22(25)19(18(16)14-17)12-15-3-7-20(23)21(24)13-15/h3-4,6-7,13-14,19,22,26H,2,5,8-12,25H2,1H3/t19-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry				J Med Chem 61: 7503-7524 (2018) Article DOI: 10.1021/acs.jmedchem.8b00300 BindingDB Entry DOI: 10.7270/Q2W66P9B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50368711 (CHEMBL4176494) Show SMILES CCCS(=O)(=O)NCCOc1ccc2CC[C@H](N)[C@H](Cc3ccc(Cl)c(Cl)c3)c2c1 |r| Show InChI InChI=1S/C22H28Cl2N2O3S/c1-2-11-30(27,28)26-9-10-29-17-6-4-16-5-8-22(25)19(18(16)14-17)12-15-3-7-20(23)21(24)13-15/h3-4,6-7,13-14,19,22,26H,2,5,8-12,25H2,1H3/t19-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in in human liver microsomes in presence of NADPH regeneration mixture using luciferin IPA-OH substrate by P450-Glo assay				J Med Chem 61: 7503-7524 (2018) Article DOI: 10.1021/acs.jmedchem.8b00300 BindingDB Entry DOI: 10.7270/Q2W66P9B
					More data for this Ligand-Target Pair