BDBM50236464 CHEMBL4072081

SMILES: Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(CNC(N)=N)cc1

InChI Key: InChIKey=GUOUIKZMUUILTC-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50236464   

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
LSD1/CoREST complex (Homo sapiens (Human))	BDBM50236464 (CHEMBL4072081) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(CNC(N)=N)cc1 Show InChI InChI=1S/C23H23N5O2S/c1-28-19-10-11-31-21(19)12-20(28)22(29)27-18-5-3-2-4-16(18)14-30-17-8-6-15(7-9-17)13-26-23(24)25/h2-12H,13-14H2,1H3,(H,27,29)(H4,24,25,26)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake at striatal nerve endings by serotonin transporter				J Med Chem 60: 1693-1715 (2017) Article DOI: 10.1021/acs.jmedchem.6b01019 BindingDB Entry DOI: 10.7270/Q22809VX
					More data for this Ligand-Target Pair