BDBM34419 2,6-di-tert-butyl-4-{[4-(2-hydroxyethyl)-1-piperazinyl]carbonothioyl}phenol::2,6-ditert-butyl-4-[[4-(2-hydroxyethyl)-1-piperazinyl]-mercaptomethylidene]-1-cyclohexa-2,5-dienone::2,6-ditert-butyl-4-[[4-(2-hydroxyethyl)piperazin-1-yl]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one::2,6-ditert-butyl-4-[[4-(2-hydroxyethyl)piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one::2,6-ditert-butyl-4-[[4-(2-hydroxyethyl)piperazino]-mercapto-methylene]cyclohexa-2,5-dien-1-one::MLS000050217::SMR000077360::cid_5649484

SMILES: CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=S)N1CCN(CCO)CC1

InChI Key: InChIKey=HRRJEDMATDGNGB-UHFFFAOYSA-N

Data: 3 IC50  3 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 6 hits for monomerid = 34419   

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
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM34419 (2,6-di-tert-butyl-4-{[4-(2-hydroxyethyl)-1-piperaz...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=S)N1CCN(CCO)CC1 Show InChI InChI=1S/C21H34N2O2S/c1-20(2,3)16-13-15(14-17(18(16)25)21(4,5)6)19(26)23-9-7-22(8-10-23)11-12-24/h13-14,24-25H,7-12H2,1-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	8.0	23
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2H70D5W
					More data for this Ligand-Target Pair
nuclear receptor coactivator 3 isoform a (Homo sapiens (Human))	BDBM34419 (2,6-di-tert-butyl-4-{[4-(2-hydroxyethyl)-1-piperaz...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=S)N1CCN(CCO)CC1 Show InChI InChI=1S/C21H34N2O2S/c1-20(2,3)16-13-15(14-17(18(16)25)21(4,5)6)19(26)23-9-7-22(8-10-23)11-12-24/h13-14,24-25H,7-12H2,1-6H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>7.94E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center http://molscreen.florida.scripps.edu/ Center Affiliation: The ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2707ZV7
					More data for this Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A (Homo sapiens (Human))	BDBM34419 (2,6-di-tert-butyl-4-{[4-(2-hydroxyethyl)-1-piperaz...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=S)N1CCN(CCO)CC1 Show InChI InChI=1S/C21H34N2O2S/c1-20(2,3)16-13-15(14-17(18(16)25)21(4,5)6)19(26)23-9-7-22(8-10-23)11-12-24/h13-14,24-25H,7-12H2,1-6H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	25
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2CZ35ND
					More data for this Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1 (Homo sapiens (Human))	BDBM34419 (2,6-di-tert-butyl-4-{[4-(2-hydroxyethyl)-1-piperaz...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=S)N1CCN(CCO)CC1 Show InChI InChI=1S/C21H34N2O2S/c1-20(2,3)16-13-15(14-17(18(16)25)21(4,5)6)19(26)23-9-7-22(8-10-23)11-12-24/h13-14,24-25H,7-12H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>7.94E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2FT8JGV
					More data for this Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human))	BDBM34419 (2,6-di-tert-butyl-4-{[4-(2-hydroxyethyl)-1-piperaz...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=S)N1CCN(CCO)CC1 Show InChI InChI=1S/C21H34N2O2S/c1-20(2,3)16-13-15(14-17(18(16)25)21(4,5)6)19(26)23-9-7-22(8-10-23)11-12-24/h13-14,24-25H,7-12H2,1-6H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	25
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2HQ3XD6
					More data for this Ligand-Target Pair
NCOA2 protein (Homo sapiens (Human))	BDBM34419 (2,6-di-tert-butyl-4-{[4-(2-hydroxyethyl)-1-piperaz...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=S)N1CCN(CCO)CC1 Show InChI InChI=1S/C21H34N2O2S/c1-20(2,3)16-13-15(14-17(18(16)25)21(4,5)6)19(26)23-9-7-22(8-10-23)11-12-24/h13-14,24-25H,7-12H2,1-6H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>7.94E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2QZ28CS
					More data for this Ligand-Target Pair