BDBM50236506 CHEMBL4082560

SMILES: Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(cc1)[C@H]1CC[C@H](N)CC1

InChI Key: InChIKey=WZCZPTMDQMQDAD-XGAFWQRZSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50236506   

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
Lysine-specific histone demethylase 1A/REST corepressor 1 (Homo sapiens (Human))	BDBM50236506 (CHEMBL4082560) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(cc1)[C@H]1CC[C@H](N)CC1 |r,wU:29.33,wD:26.29,(11.03,-6.99,;10.59,-8.47,;11.52,-9.7,;10.64,-10.96,;9.16,-10.51,;7.71,-11.02,;6.78,-9.79,;7.66,-8.52,;9.13,-8.97,;13.06,-9.66,;13.8,-8.32,;13.85,-10.98,;13.11,-12.33,;11.57,-12.36,;10.82,-13.71,;11.62,-15.03,;13.16,-15,;13.91,-13.65,;15.44,-13.62,;16.19,-12.27,;17.73,-12.24,;18.47,-10.89,;20.01,-10.86,;20.81,-12.18,;20.07,-13.53,;18.53,-13.56,;22.32,-12.14,;23.11,-13.45,;24.62,-13.42,;25.36,-12.09,;26.88,-12.06,;24.58,-10.79,;23.05,-10.81,)| Show InChI InChI=1S/C27H29N3O2S/c1-30-24-14-15-33-26(24)16-25(30)27(31)29-23-5-3-2-4-20(23)17-32-22-12-8-19(9-13-22)18-6-10-21(28)11-7-18/h2-5,8-9,12-16,18,21H,6-7,10-11,17,28H2,1H3,(H,29,31)/t18-,21-	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	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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