Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1/2/3/8' and Ligand = 'BDBM50258579'   

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 1/2/3/8 (Homo sapiens (Human))	BDBM50258579 ((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r| Show InChI InChI=1S/C26H33N5O3/c1-17(32)9-5-4-6-12-22(29-25(33)19-15-31(2)16-19)24-27-14-23(28-24)20-13-18-10-7-8-11-21(18)30-26(20)34-3/h7-8,10-11,13-14,19,22H,4-6,9,12,15-16H2,1-3H3,(H,27,28)(H,29,33)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of class 1 HDAC in human Jurkat 2C4 model of HIV latency assessed as reactivation of HIV latency incubated for 18 to 24 hrs in presence of...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00074 BindingDB Entry DOI: 10.7270/Q2V41004
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/8 (Homo sapiens (Human))	BDBM50258579 ((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r| Show InChI InChI=1S/C26H33N5O3/c1-17(32)9-5-4-6-12-22(29-25(33)19-15-31(2)16-19)24-27-14-23(28-24)20-13-18-10-7-8-11-21(18)30-26(20)34-3/h7-8,10-11,13-14,19,22H,4-6,9,12,15-16H2,1-3H3,(H,27,28)(H,29,33)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of class 1 HDAC in quiescent human primary T-cell model of VSV-G pseudotyped HIV-1 latency assessed as reactivation of HIV latency incubat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00074 BindingDB Entry DOI: 10.7270/Q2V41004
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/8 (Homo sapiens (Human))	BDBM50258579 ((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r| Show InChI InChI=1S/C26H33N5O3/c1-17(32)9-5-4-6-12-22(29-25(33)19-15-31(2)16-19)24-27-14-23(28-24)20-13-18-10-7-8-11-21(18)30-26(20)34-3/h7-8,10-11,13-14,19,22H,4-6,9,12,15-16H2,1-3H3,(H,27,28)(H,29,33)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of class 1 HDAC in human Jurkat 2C4 model of HIV latency assessed as reactivation of HIV latency incubated for 18 to 24 hrs in presence of...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00074 BindingDB Entry DOI: 10.7270/Q2V41004
					More data for this Ligand-Target Pair