BDBM50150801 CHEMBL3775132

SMILES: CC(C)COc1cccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)C2CC2)c1

InChI Key: InChIKey=OETOFCHOQKDFHK-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50150801   

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
Transcription intermediary factor 1-alpha (Homo sapiens (Human))	BDBM50150801 (CHEMBL3775132) Show SMILES CC(C)COc1cccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)C2CC2)c1 Show InChI InChI=1S/C22H27N3O5S/c1-14(2)13-29-15-6-5-7-16(10-15)30-21-12-20-19(24(3)22(26)25(20)4)11-18(21)23-31(27,28)17-8-9-17/h5-7,10-12,14,17,23H,8-9,13H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas MD Anderson Cancer Center Curated by ChEMBL					Assay Description Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...				J Med Chem 59: 1440-54 (2016) BindingDB Entry DOI: 10.7270/Q26975F4
					More data for this Ligand-Target Pair
Transcription intermediary factor 1-alpha (Homo sapiens (Human))	BDBM50150801 (CHEMBL3775132) Show SMILES CC(C)COc1cccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)C2CC2)c1 Show InChI InChI=1S/C22H27N3O5S/c1-14(2)13-29-15-6-5-7-16(10-15)30-21-12-20-19(24(3)22(26)25(20)4)11-18(21)23-31(27,28)17-8-9-17/h5-7,10-12,14,17,23H,8-9,13H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
The University of Texas MD Anderson Cancer Center Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...				J Med Chem 59: 1440-54 (2016) BindingDB Entry DOI: 10.7270/Q26975F4
					More data for this Ligand-Target Pair