Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50010780   

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
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50541994 (CHEMBL4646073) Show SMILES CNC(=O)COc1cc2cc(Nc3nc(NCc4cccc(c4)S(F)(=O)=O)ncc3Cl)cc(OC)c2n(C)c1=O Show InChI InChI=1S/C25H24ClFN6O6S/c1-28-21(34)13-39-20-9-15-8-16(10-19(38-3)22(15)33(2)24(20)35)31-23-18(26)12-30-25(32-23)29-11-14-5-4-6-17(7-14)40(27,36)37/h4-10,12H,11,13H2,1-3H3,(H,28,34)(H2,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition FITC-labeled BCoR peptide binding to wild type human BCL6 BTB domain (5 to 129 residues) expressed in baculovirus infected Sf9 cells after...				ACS Med Chem Lett 11: 1269-1273 (2020) Article DOI: 10.1021/acsmedchemlett.0c00111 BindingDB Entry DOI: 10.7270/Q25T3Q1Q
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50541993 (CHEMBL4640734) Show SMILES FS(=O)(=O)c1cccc(CNc2ncc(Cl)c(Nc3ccc4NC(=O)Cc4c3)n2)c1 Show InChI InChI=1S/C19H15ClFN5O3S/c20-15-10-23-19(22-9-11-2-1-3-14(6-11)30(21,28)29)26-18(15)24-13-4-5-16-12(7-13)8-17(27)25-16/h1-7,10H,8-9H2,(H,25,27)(H2,22,23,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition FITC-labeled BCoR peptide binding to wild type human BCL6 BTB domain (5 to 129 residues) expressed in baculovirus infected Sf9 cells after...				ACS Med Chem Lett 11: 1269-1273 (2020) Article DOI: 10.1021/acsmedchemlett.0c00111 BindingDB Entry DOI: 10.7270/Q25T3Q1Q
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50541995 (CHEMBL4644523) Show SMILES CNC(=O)COc1cc2cc(Nc3nc(NCc4cccc(c4)S(C)(=O)=O)ncc3Cl)cc(OC)c2n(C)c1=O Show InChI InChI=1S/C26H27ClN6O6S/c1-28-22(34)14-39-21-10-16-9-17(11-20(38-3)23(16)33(2)25(21)35)31-24-19(27)13-30-26(32-24)29-12-15-6-5-7-18(8-15)40(4,36)37/h5-11,13H,12,14H2,1-4H3,(H,28,34)(H2,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	368	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition FITC-labeled BCoR peptide binding to wild type human BCL6 BTB domain (5 to 129 residues) expressed in baculovirus infected Sf9 cells after...				ACS Med Chem Lett 11: 1269-1273 (2020) Article DOI: 10.1021/acsmedchemlett.0c00111 BindingDB Entry DOI: 10.7270/Q25T3Q1Q
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50266780 (CHEMBL4077392) Show SMILES Clc1cnc(NCc2cccnc2)nc1Nc1ccc2NC(=O)Cc2c1 Show InChI InChI=1S/C18H15ClN6O/c19-14-10-22-18(21-9-11-2-1-5-20-8-11)25-17(14)23-13-3-4-15-12(6-13)7-16(26)24-15/h1-6,8,10H,7,9H2,(H,24,26)(H2,21,22,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition FITC-labeled BCoR peptide binding to wild type human BCL6 BTB domain (5 to 129 residues) expressed in baculovirus infected Sf9 cells after...				ACS Med Chem Lett 11: 1269-1273 (2020) Article DOI: 10.1021/acsmedchemlett.0c00111 BindingDB Entry DOI: 10.7270/Q25T3Q1Q
					More data for this Ligand-Target Pair				3D Structure (crystal)