Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'yarla' and Initial = 'ns'   

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 8 (Homo sapiens (Human))	BDBM50197156 (CHEMBL3930237) Show SMILES C[C@@H](N)C(=O)NCc1nnc(o1)-c1ccccc1 |r| Show InChI InChI=1S/C12H14N4O2/c1-8(13)11(17)14-7-10-15-16-12(18-10)9-5-3-2-4-6-9/h2-6,8H,7,13H2,1H3,(H,14,17)/t8-/m1/s1	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	98	n/a	n/a	n/a	n/a	n/a	n/a
Acharya Nagarjuna University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged HDAC8 expressed in Escherichia coli DH5alpha (DE3) assessed as inhibition of deacetylation act...				Bioorg Med Chem 24: 5611-5617 (2016) Article DOI: 10.1016/j.bmc.2016.09.022 BindingDB Entry DOI: 10.7270/Q2X06900
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50197164 (CHEMBL3921280) Show SMILES C[C@@H](N)C(=O)NCc1nnc(o1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C12H13FN4O2/c1-7(14)11(18)15-6-10-16-17-12(19-10)8-2-4-9(13)5-3-8/h2-5,7H,6,14H2,1H3,(H,15,18)/t7-/m1/s1	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	116	n/a	n/a	n/a	n/a	n/a	n/a
Acharya Nagarjuna University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged HDAC8 expressed in Escherichia coli DH5alpha (DE3) assessed as inhibition of deacetylation act...				Bioorg Med Chem 24: 5611-5617 (2016) Article DOI: 10.1016/j.bmc.2016.09.022 BindingDB Entry DOI: 10.7270/Q2X06900
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50197155 (CHEMBL3970888) Show SMILES C[C@@H](N)C(=O)NCc1nnc(o1)-c1ccc(C)cc1 |r| Show InChI InChI=1S/C13H16N4O2/c1-8-3-5-10(6-4-8)13-17-16-11(19-13)7-15-12(18)9(2)14/h3-6,9H,7,14H2,1-2H3,(H,15,18)/t9-/m1/s1	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	121	n/a	n/a	n/a	n/a	n/a	n/a
Acharya Nagarjuna University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged HDAC8 expressed in Escherichia coli DH5alpha (DE3) assessed as inhibition of deacetylation act...				Bioorg Med Chem 24: 5611-5617 (2016) Article DOI: 10.1016/j.bmc.2016.09.022 BindingDB Entry DOI: 10.7270/Q2X06900
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50197162 (CHEMBL3984879) Show SMILES C[C@@H](N)C(=O)NCc1nnc(o1)-c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C12H13N5O4/c1-7(13)11(18)14-6-10-15-16-12(21-10)8-2-4-9(5-3-8)17(19)20/h2-5,7H,6,13H2,1H3,(H,14,18)/t7-/m1/s1	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	127	n/a	n/a	n/a	n/a	n/a	n/a
Acharya Nagarjuna University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged HDAC8 expressed in Escherichia coli DH5alpha (DE3) assessed as inhibition of deacetylation act...				Bioorg Med Chem 24: 5611-5617 (2016) Article DOI: 10.1016/j.bmc.2016.09.022 BindingDB Entry DOI: 10.7270/Q2X06900
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50197163 (CHEMBL3956223) Show SMILES NCC(=O)NCc1nnc(o1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C11H11N5O4/c12-5-9(17)13-6-10-14-15-11(20-10)7-1-3-8(4-2-7)16(18)19/h1-4H,5-6,12H2,(H,13,17)	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	134	n/a	n/a	n/a	n/a	n/a	n/a
Acharya Nagarjuna University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged HDAC8 expressed in Escherichia coli DH5alpha (DE3) assessed as inhibition of deacetylation act...				Bioorg Med Chem 24: 5611-5617 (2016) Article DOI: 10.1016/j.bmc.2016.09.022 BindingDB Entry DOI: 10.7270/Q2X06900
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50197156 (CHEMBL3930237) Show SMILES C[C@@H](N)C(=O)NCc1nnc(o1)-c1ccccc1 |r| Show InChI InChI=1S/C12H14N4O2/c1-8(13)11(17)14-7-10-15-16-12(18-10)9-5-3-2-4-6-9/h2-6,8H,7,13H2,1H3,(H,14,17)/t8-/m1/s1	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	135	n/a	n/a	n/a	n/a	n/a	n/a
Acharya Nagarjuna University Curated by ChEMBL					Assay Description Inhibition of HDAC2 in human MDA-MB-231 cells assessed as inhibition of deacetylation activity using Fluor-de-Lys as substrate measured after 15 mins...				Bioorg Med Chem 24: 5611-5617 (2016) Article DOI: 10.1016/j.bmc.2016.09.022 BindingDB Entry DOI: 10.7270/Q2X06900
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50197160 (CHEMBL3949111) Show SMILES NCC(=O)NCc1nnc(o1)-c1ccc(F)cc1 Show InChI InChI=1S/C11H11FN4O2/c12-8-3-1-7(2-4-8)11-16-15-10(18-11)6-14-9(17)5-13/h1-4H,5-6,13H2,(H,14,17)	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	135	n/a	n/a	n/a	n/a	n/a	n/a
Acharya Nagarjuna University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged HDAC8 expressed in Escherichia coli DH5alpha (DE3) assessed as inhibition of deacetylation act...				Bioorg Med Chem 24: 5611-5617 (2016) Article DOI: 10.1016/j.bmc.2016.09.022 BindingDB Entry DOI: 10.7270/Q2X06900
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50197159 (CHEMBL3914471) Show SMILES Cc1ccc(cc1)-c1nnc(CNC(=O)CN)o1 Show InChI InChI=1S/C12H14N4O2/c1-8-2-4-9(5-3-8)12-16-15-11(18-12)7-14-10(17)6-13/h2-5H,6-7,13H2,1H3,(H,14,17)	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	139	n/a	n/a	n/a	n/a	n/a	n/a
Acharya Nagarjuna University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged HDAC8 expressed in Escherichia coli DH5alpha (DE3) assessed as inhibition of deacetylation act...				Bioorg Med Chem 24: 5611-5617 (2016) Article DOI: 10.1016/j.bmc.2016.09.022 BindingDB Entry DOI: 10.7270/Q2X06900
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50197158 (CHEMBL3947530) Show SMILES COc1ccc(cc1)-c1nnc(CNC(=O)CN)o1 Show InChI InChI=1S/C12H14N4O3/c1-18-9-4-2-8(3-5-9)12-16-15-11(19-12)7-14-10(17)6-13/h2-5H,6-7,13H2,1H3,(H,14,17)	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	142	n/a	n/a	n/a	n/a	n/a	n/a
Acharya Nagarjuna University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged HDAC8 expressed in Escherichia coli DH5alpha (DE3) assessed as inhibition of deacetylation act...				Bioorg Med Chem 24: 5611-5617 (2016) Article DOI: 10.1016/j.bmc.2016.09.022 BindingDB Entry DOI: 10.7270/Q2X06900
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50197157 (CHEMBL3976805) Show SMILES COc1ccc(cc1)-c1nnc(CNC(=O)[C@@H](C)N)o1 |r| Show InChI InChI=1S/C13H16N4O3/c1-8(14)12(18)15-7-11-16-17-13(20-11)9-3-5-10(19-2)6-4-9/h3-6,8H,7,14H2,1-2H3,(H,15,18)/t8-/m1/s1	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	153	n/a	n/a	n/a	n/a	n/a	n/a
Acharya Nagarjuna University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged HDAC8 expressed in Escherichia coli DH5alpha (DE3) assessed as inhibition of deacetylation act...				Bioorg Med Chem 24: 5611-5617 (2016) Article DOI: 10.1016/j.bmc.2016.09.022 BindingDB Entry DOI: 10.7270/Q2X06900
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50197161 (CHEMBL3957732) Show SMILES NCC(=O)NCc1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C11H12N4O2/c12-6-9(16)13-7-10-14-15-11(17-10)8-4-2-1-3-5-8/h1-5H,6-7,12H2,(H,13,16)	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	155	n/a	n/a	n/a	n/a	n/a	n/a
Acharya Nagarjuna University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged HDAC8 expressed in Escherichia coli DH5alpha (DE3) assessed as inhibition of deacetylation act...				Bioorg Med Chem 24: 5611-5617 (2016) Article DOI: 10.1016/j.bmc.2016.09.022 BindingDB Entry DOI: 10.7270/Q2X06900
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50197156 (CHEMBL3930237) Show SMILES C[C@@H](N)C(=O)NCc1nnc(o1)-c1ccccc1 |r| Show InChI InChI=1S/C12H14N4O2/c1-8(13)11(17)14-7-10-15-16-12(18-10)9-5-3-2-4-6-9/h2-6,8H,7,13H2,1H3,(H,14,17)/t8-/m1/s1	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	260	n/a	n/a	n/a	n/a	n/a	n/a
Acharya Nagarjuna University Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human MDA-MB-231 cells assessed as inhibition of deacetylation activity using Fluor-de-Lys as substrate measured after 15 mins...				Bioorg Med Chem 24: 5611-5617 (2016) Article DOI: 10.1016/j.bmc.2016.09.022 BindingDB Entry DOI: 10.7270/Q2X06900
					More data for this Ligand-Target Pair
Histone deacetylase 8 (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 MMDB PDB Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Acharya Nagarjuna University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged HDAC8 expressed in Escherichia coli DH5alpha (DE3) assessed as inhibition of deacetylation act...				Bioorg Med Chem 24: 5611-5617 (2016) Article DOI: 10.1016/j.bmc.2016.09.022 BindingDB Entry DOI: 10.7270/Q2X06900
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50197156 (CHEMBL3930237) Show SMILES C[C@@H](N)C(=O)NCc1nnc(o1)-c1ccccc1 |r| Show InChI InChI=1S/C12H14N4O2/c1-8(13)11(17)14-7-10-15-16-12(18-10)9-5-3-2-4-6-9/h2-6,8H,7,13H2,1H3,(H,14,17)/t8-/m1/s1	PDB 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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Acharya Nagarjuna University Curated by ChEMBL					Assay Description Inhibition of HDAC3 in human MDA-MB-231 cells assessed as inhibition of deacetylation activity using Fluor-de-Lys as substrate measured after 15 mins...				Bioorg Med Chem 24: 5611-5617 (2016) Article DOI: 10.1016/j.bmc.2016.09.022 BindingDB Entry DOI: 10.7270/Q2X06900
					More data for this Ligand-Target Pair