Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'ahluwalia' and Initial = 'k'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50235296 (CHEMBL4096623) Show SMILES CCN(CC)CCNC(=O)c1ccc(cc1)-c1cn(CCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C22H34N6O3/c1-3-27(4-2)16-14-23-22(30)19-12-10-18(11-13-19)20-17-28(26-24-20)15-8-6-5-7-9-21(29)25-31/h10-13,17,31H,3-9,14-16H2,1-2H3,(H,23,30)(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Bioorg Med Chem Lett 27: 744-749 (2017) Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Bioorg Med Chem Lett 27: 744-749 (2017) Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50235293 (CHEMBL4102456) Show SMILES CCN(CC)CCNC(=O)c1ccc(cc1)-c1cn(CCCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C23H36N6O3/c1-3-28(4-2)17-15-24-23(31)20-13-11-19(12-14-20)21-18-29(27-25-21)16-9-7-5-6-8-10-22(30)26-32/h11-14,18,32H,3-10,15-17H2,1-2H3,(H,24,31)(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Bioorg Med Chem Lett 27: 744-749 (2017) Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50235296 (CHEMBL4096623) Show SMILES CCN(CC)CCNC(=O)c1ccc(cc1)-c1cn(CCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C22H34N6O3/c1-3-27(4-2)16-14-23-22(30)19-12-10-18(11-13-19)20-17-28(26-24-20)15-8-6-5-7-9-21(29)25-31/h10-13,17,31H,3-9,14-16H2,1-2H3,(H,23,30)(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Bioorg Med Chem Lett 27: 744-749 (2017) Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50235295 (CHEMBL4092997) Show SMILES CCN(CC)CCNC(=O)c1ccc(cn1)-c1cn(CCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C21H33N7O3/c1-3-27(4-2)14-12-22-21(30)18-11-10-17(15-23-18)19-16-28(26-24-19)13-8-6-5-7-9-20(29)25-31/h10-11,15-16,31H,3-9,12-14H2,1-2H3,(H,22,30)(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Bioorg Med Chem Lett 27: 744-749 (2017) Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50235293 (CHEMBL4102456) Show SMILES CCN(CC)CCNC(=O)c1ccc(cc1)-c1cn(CCCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C23H36N6O3/c1-3-28(4-2)17-15-24-23(31)20-13-11-19(12-14-20)21-18-29(27-25-21)16-9-7-5-6-8-10-22(30)26-32/h11-14,18,32H,3-10,15-17H2,1-2H3,(H,24,31)(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Bioorg Med Chem Lett 27: 744-749 (2017) Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Bioorg Med Chem Lett 27: 744-749 (2017) Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50235295 (CHEMBL4092997) Show SMILES CCN(CC)CCNC(=O)c1ccc(cn1)-c1cn(CCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C21H33N7O3/c1-3-27(4-2)14-12-22-21(30)18-11-10-17(15-23-18)19-16-28(26-24-19)13-8-6-5-7-9-20(29)25-31/h10-11,15-16,31H,3-9,12-14H2,1-2H3,(H,22,30)(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Bioorg Med Chem Lett 27: 744-749 (2017) Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50235294 (CHEMBL4084499) Show SMILES CCN(CC)CCNC(=O)c1ccc(cn1)-c1cn(CCCCCC(=O)NO)nn1 Show InChI InChI=1S/C20H31N7O3/c1-3-26(4-2)13-11-21-20(29)17-10-9-16(14-22-17)18-15-27(25-23-18)12-7-5-6-8-19(28)24-30/h9-10,14-15,30H,3-8,11-13H2,1-2H3,(H,21,29)(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Bioorg Med Chem Lett 27: 744-749 (2017) Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50235294 (CHEMBL4084499) Show SMILES CCN(CC)CCNC(=O)c1ccc(cn1)-c1cn(CCCCCC(=O)NO)nn1 Show InChI InChI=1S/C20H31N7O3/c1-3-26(4-2)13-11-21-20(29)17-10-9-16(14-22-17)18-15-27(25-23-18)12-7-5-6-8-19(28)24-30/h9-10,14-15,30H,3-8,11-13H2,1-2H3,(H,21,29)(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Bioorg Med Chem Lett 27: 744-749 (2017) Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4
					More data for this Ligand-Target Pair