BDBM50236456 CHEMBL4081995

SMILES: Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC[C@@H]2CCNC2)cc1

InChI Key: InChIKey=OAZVHMYGOGQYLZ-GOSISDBHSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50236456   

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))	BDBM50236456 (CHEMBL4081995) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC[C@@H]2CCNC2)cc1 |r| Show InChI InChI=1S/C26H27N3O3S/c1-29-23-11-13-33-25(23)14-24(29)26(30)28-22-5-3-2-4-19(22)17-32-21-8-6-20(7-9-21)31-16-18-10-12-27-15-18/h2-9,11,13-14,18,27H,10,12,15-17H2,1H3,(H,28,30)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	18	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
					More data for this Ligand-Target Pair				3D Structure (crystal)