BDBM50437811 CHEMBL2407724

SMILES: Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@@H]([C@H](S2)c2ccccc2)c2ccccc2)cc1

InChI Key: InChIKey=ATSHIQNIJWBDQY-KAYWLYCHSA-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 = 50437811   

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
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437811 (CHEMBL2407724) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@@H]([C@H](S2)c2ccccc2)c2ccccc2)cc1 |r,w:15.15| Show InChI InChI=1S/C29H26N4OS/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	287	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair