BDBM50150756 CHEMBL3774766

SMILES: CCCOc1cc(OCCCCCCN)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)c1

InChI Key: InChIKey=CKWMQEHOKHQQEY-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 = 50150756   

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))	BDBM50150756 (CHEMBL3774766) Show SMILES CCCOc1cc(OCCCCCCN)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 Show InChI InChI=1S/C32H42N4O8S/c1-6-14-42-22-16-23(43-15-10-8-7-9-13-33)18-24(17-22)44-30-21-28-27(35(2)32(37)36(28)3)20-26(30)34-45(38,39)25-11-12-29(40-4)31(19-25)41-5/h11-12,16-21,34H,6-10,13-15,33H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	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))	BDBM50150756 (CHEMBL3774766) Show SMILES CCCOc1cc(OCCCCCCN)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 Show InChI InChI=1S/C32H42N4O8S/c1-6-14-42-22-16-23(43-15-10-8-7-9-13-33)18-24(17-22)44-30-21-28-27(35(2)32(37)36(28)3)20-26(30)34-45(38,39)25-11-12-29(40-4)31(19-25)41-5/h11-12,16-21,34H,6-10,13-15,33H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	170	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