Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50001749   

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)	BDBM50366289 (CHEMBL4163317) Show SMILES CN1CCN(Cc2cn(CC(=O)N3CCOCC3)c3cc(NC(=S)NCCc4c[nH]c5ccccc45)ccc23)CC1 Show InChI InChI=1S/C31H39N7O2S/c1-35-10-12-36(13-11-35)20-24-21-38(22-30(39)37-14-16-40-17-15-37)29-18-25(6-7-27(24)29)34-31(41)32-9-8-23-19-33-28-5-3-2-4-26(23)28/h2-7,18-19,21,33H,8-17,20,22H2,1H3,(H2,32,34,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity to N-terminal thioredoxin-His6 tag with N-terminal thrombin-cleavage site containing recombinant BCL6 BTB domain C8Q/C67R/C84N/E99V ...				J Med Chem 61: 7573-7588 (2018) Article DOI: 10.1021/acs.jmedchem.8b00040 BindingDB Entry DOI: 10.7270/Q27M0BGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50366279 (CHEMBL4165932) Show SMILES CN1CCN(Cc2cn(CC(=O)N3CCCCC3)c3cc(NC(=S)NCCc4c[nH]c5ccccc45)ccc23)CC1 Show InChI InChI=1S/C32H41N7OS/c1-36-15-17-37(18-16-36)21-25-22-39(23-31(40)38-13-5-2-6-14-38)30-19-26(9-10-28(25)30)35-32(41)33-12-11-24-20-34-29-8-4-3-7-27(24)29/h3-4,7-10,19-20,22,34H,2,5-6,11-18,21,23H2,1H3,(H2,33,35,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity to N-terminal thioredoxin-His6 tag with N-terminal thrombin-cleavage site containing recombinant BCL6 BTB domain C8Q/C67R/C84N/E99V ...				J Med Chem 61: 7573-7588 (2018) Article DOI: 10.1021/acs.jmedchem.8b00040 BindingDB Entry DOI: 10.7270/Q27M0BGD
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50366291 (CHEMBL4171221) Show SMILES CC1CN(CCO1)C(=O)Cn1cc(CN2CCN(C)CC2)c2ccc(NC(=S)NCCc3c[nH]c4ccccc34)cc12 Show InChI InChI=1S/C32H41N7O2S/c1-23-19-38(15-16-41-23)31(40)22-39-21-25(20-37-13-11-36(2)12-14-37)28-8-7-26(17-30(28)39)35-32(42)33-10-9-24-18-34-29-6-4-3-5-27(24)29/h3-8,17-18,21,23,34H,9-16,19-20,22H2,1-2H3,(H2,33,35,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity to N-terminal thioredoxin-His6 tag with N-terminal thrombin-cleavage site containing recombinant BCL6 BTB domain C8Q/C67R/C84N/E99V ...				J Med Chem 61: 7573-7588 (2018) Article DOI: 10.1021/acs.jmedchem.8b00040 BindingDB Entry DOI: 10.7270/Q27M0BGD
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50366285 (CHEMBL4164855) Show SMILES COC(=O)Cn1cc(CN2CCN(C)CC2)c2ccc(NC(=S)NCCc3c[nH]c4ccccc34)cc12 Show InChI InChI=1S/C28H34N6O2S/c1-32-11-13-33(14-12-32)17-21-18-34(19-27(35)36-2)26-15-22(7-8-24(21)26)31-28(37)29-10-9-20-16-30-25-6-4-3-5-23(20)25/h3-8,15-16,18,30H,9-14,17,19H2,1-2H3,(H2,29,31,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity to N-terminal thioredoxin-His6 tag with N-terminal thrombin-cleavage site containing recombinant BCL6 BTB domain C8Q/C67R/C84N/E99V ...				J Med Chem 61: 7573-7588 (2018) Article DOI: 10.1021/acs.jmedchem.8b00040 BindingDB Entry DOI: 10.7270/Q27M0BGD
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50366286 (CHEMBL4169363) Show SMILES CN1CCN(Cc2cn(CC(=O)NCC(O)=O)c3cc(NC(=S)NCCc4c[nH]c5ccccc45)ccc23)CC1 Show InChI InChI=1S/C29H35N7O3S/c1-34-10-12-35(13-11-34)17-21-18-36(19-27(37)32-16-28(38)39)26-14-22(6-7-24(21)26)33-29(40)30-9-8-20-15-31-25-5-3-2-4-23(20)25/h2-7,14-15,18,31H,8-13,16-17,19H2,1H3,(H,32,37)(H,38,39)(H2,30,33,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity to N-terminal thioredoxin-His6 tag with N-terminal thrombin-cleavage site containing recombinant BCL6 BTB domain C8Q/C67R/C84N/E99V ...				J Med Chem 61: 7573-7588 (2018) Article DOI: 10.1021/acs.jmedchem.8b00040 BindingDB Entry DOI: 10.7270/Q27M0BGD
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50366282 (CHEMBL4172762) Show SMILES CC(C)NC(=O)Cn1cc(CN2CCN(C)CC2)c2ccc(NC(=S)NCCc3c[nH]c4ccccc34)cc12 Show InChI InChI=1S/C30H39N7OS/c1-21(2)33-29(38)20-37-19-23(18-36-14-12-35(3)13-15-36)26-9-8-24(16-28(26)37)34-30(39)31-11-10-22-17-32-27-7-5-4-6-25(22)27/h4-9,16-17,19,21,32H,10-15,18,20H2,1-3H3,(H,33,38)(H2,31,34,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.42E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity to N-terminal thioredoxin-His6 tag with N-terminal thrombin-cleavage site containing recombinant BCL6 BTB domain C8Q/C67R/C84N/E99V ...				J Med Chem 61: 7573-7588 (2018) Article DOI: 10.1021/acs.jmedchem.8b00040 BindingDB Entry DOI: 10.7270/Q27M0BGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50366281 (CHEMBL4176136) Show SMILES OC(=O)CNC(=O)Cn1ccc2ccc(NC(=S)NCCc3c[nH]c4ccccc34)cc12 Show InChI InChI=1S/C23H23N5O3S/c29-21(26-13-22(30)31)14-28-10-8-15-5-6-17(11-20(15)28)27-23(32)24-9-7-16-12-25-19-4-2-1-3-18(16)19/h1-6,8,10-12,25H,7,9,13-14H2,(H,26,29)(H,30,31)(H2,24,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity to N-terminal thioredoxin-His6 tag with N-terminal thrombin-cleavage site containing recombinant BCL6 BTB domain C8Q/C67R/C84N/E99V ...				J Med Chem 61: 7573-7588 (2018) Article DOI: 10.1021/acs.jmedchem.8b00040 BindingDB Entry DOI: 10.7270/Q27M0BGD
					More data for this Ligand-Target Pair