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SMILES: Nc1cc(N)c(OCC(F)(F)F)cc1OCC(F)(F)F

InChI Key: InChIKey=AFRMIDLDUGFWJO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 32037   

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
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32037 (4,6-bis(2,2,2-trifluoroethoxy)benzene-1,3-diamine ...) Show SMILES Nc1cc(N)c(OCC(F)(F)F)cc1OCC(F)(F)F Show InChI InChI=1S/C10H10F6N2O2/c11-9(12,13)3-19-7-2-8(6(18)1-5(7)17)20-4-10(14,15)16/h1-2H,3-4,17-18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	3.47E+4	n/a	n/a	n/a	n/a	7.4	23
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2Q23XM6
					More data for this Ligand-Target Pair
Protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM32037 (4,6-bis(2,2,2-trifluoroethoxy)benzene-1,3-diamine ...) Show SMILES Nc1cc(N)c(OCC(F)(F)F)cc1OCC(F)(F)F Show InChI InChI=1S/C10H10F6N2O2/c11-9(12,13)3-19-7-2-8(6(18)1-5(7)17)20-4-10(14,15)16/h1-2H,3-4,17-18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	n/a	n/a	7.62E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2FN14NR
					More data for this Ligand-Target Pair
Protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM32037 (4,6-bis(2,2,2-trifluoroethoxy)benzene-1,3-diamine ...) Show SMILES Nc1cc(N)c(OCC(F)(F)F)cc1OCC(F)(F)F Show InChI InChI=1S/C10H10F6N2O2/c11-9(12,13)3-19-7-2-8(6(18)1-5(7)17)20-4-10(14,15)16/h1-2H,3-4,17-18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	n/a	n/a	4.82E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2DR2SX9
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7)	BDBM32037 (4,6-bis(2,2,2-trifluoroethoxy)benzene-1,3-diamine ...) Show SMILES Nc1cc(N)c(OCC(F)(F)F)cc1OCC(F)(F)F Show InChI InChI=1S/C10H10F6N2O2/c11-9(12,13)3-19-7-2-8(6(18)1-5(7)17)20-4-10(14,15)16/h1-2H,3-4,17-18H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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 CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q23T9FQ1
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7)	BDBM32037 (4,6-bis(2,2,2-trifluoroethoxy)benzene-1,3-diamine ...) Show SMILES Nc1cc(N)c(OCC(F)(F)F)cc1OCC(F)(F)F Show InChI InChI=1S/C10H10F6N2O2/c11-9(12,13)3-19-7-2-8(6(18)1-5(7)17)20-4-10(14,15)16/h1-2H,3-4,17-18H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2ZS2TZG
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7)	BDBM32037 (4,6-bis(2,2,2-trifluoroethoxy)benzene-1,3-diamine ...) Show SMILES Nc1cc(N)c(OCC(F)(F)F)cc1OCC(F)(F)F Show InChI InChI=1S/C10H10F6N2O2/c11-9(12,13)3-19-7-2-8(6(18)1-5(7)17)20-4-10(14,15)16/h1-2H,3-4,17-18H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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 CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q27H1H3W
					More data for this Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase (Homo sapiens (Human))	BDBM32037 (4,6-bis(2,2,2-trifluoroethoxy)benzene-1,3-diamine ...) Show SMILES Nc1cc(N)c(OCC(F)(F)F)cc1OCC(F)(F)F Show InChI InChI=1S/C10H10F6N2O2/c11-9(12,13)3-19-7-2-8(6(18)1-5(7)17)20-4-10(14,15)16/h1-2H,3-4,17-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	3.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
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 CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2V12389
					More data for this Ligand-Target Pair