BDBM50236459 CHEMBL4100964

SMILES: Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC2CCCNCC2)cc1

InChI Key: InChIKey=IYOQBCSTSLISOI-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 = 50236459   

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))	BDBM50236459 (CHEMBL4100964) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC2CCCNCC2)cc1 Show InChI InChI=1S/C27H29N3O3S/c1-30-24-13-16-34-26(24)17-25(30)27(31)29-23-7-3-2-5-19(23)18-32-20-8-10-22(11-9-20)33-21-6-4-14-28-15-12-21/h2-3,5,7-11,13,16-17,21,28H,4,6,12,14-15,18H2,1H3,(H,29,31)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub...				J Med Chem 60: 1693-1715 (2017) Article DOI: 10.1021/acs.jmedchem.6b01019 BindingDB Entry DOI: 10.7270/Q22809VX
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