Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50043738   

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
Ezrin (Homo sapiens (Human))	BDBM50445461 (CHEMBL3104731) Show SMILES Cc1cc(CC=Nc2cc(O)c3cccnc3c2O)cc(C)c1O |w:6.6| Show InChI InChI=1S/C19H18N2O3/c1-11-8-13(9-12(2)18(11)23)5-7-20-15-10-16(22)14-4-3-6-21-17(14)19(15)24/h3-4,6-10,22-24H,5H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a
George Mason University Curated by ChEMBL					Assay Description Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry				Bioorg Med Chem 22: 478-87 (2013) Article DOI: 10.1016/j.bmc.2013.11.003 BindingDB Entry DOI: 10.7270/Q21Z45WT
					More data for this Ligand-Target Pair
Ezrin (Homo sapiens (Human))	BDBM50445462 (CHEMBL3104730) Show SMILES Oc1cc(N=CCc2cc(F)c(O)c(F)c2)c(O)c2ncccc12 |w:4.3| Show InChI InChI=1S/C17H12F2N2O3/c18-11-6-9(7-12(19)16(11)23)3-5-20-13-8-14(22)10-2-1-4-21-15(10)17(13)24/h1-2,4-8,22-24H,3H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.99E+4	n/a	n/a	n/a	n/a	n/a
George Mason University Curated by ChEMBL					Assay Description Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry				Bioorg Med Chem 22: 478-87 (2013) Article DOI: 10.1016/j.bmc.2013.11.003 BindingDB Entry DOI: 10.7270/Q21Z45WT
					More data for this Ligand-Target Pair
Ezrin (Homo sapiens (Human))	BDBM50445463 (CHEMBL3104729) Show SMILES Oc1cc(N=CCc2cc(Cl)c(O)c(Cl)c2)c(O)c2ncccc12 |w:4.3| Show InChI InChI=1S/C17H12Cl2N2O3/c18-11-6-9(7-12(19)16(11)23)3-5-20-13-8-14(22)10-2-1-4-21-15(10)17(13)24/h1-2,4-8,22-24H,3H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a
George Mason University Curated by ChEMBL					Assay Description Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry				Bioorg Med Chem 22: 478-87 (2013) Article DOI: 10.1016/j.bmc.2013.11.003 BindingDB Entry DOI: 10.7270/Q21Z45WT
					More data for this Ligand-Target Pair
Ezrin (Homo sapiens (Human))	BDBM50445464 (CHEMBL3104728) Show SMILES Oc1cc(N=CCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c(O)c2ncccc12 |w:4.3| Show InChI InChI=1S/C31H26N2O4/c34-27-19-26(31(35)30-25(27)12-7-16-33-30)32-17-15-22-13-14-28(36-20-23-8-3-1-4-9-23)29(18-22)37-21-24-10-5-2-6-11-24/h1-14,16-19,34-35H,15,20-21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.53E+4	n/a	n/a	n/a	n/a	n/a
George Mason University Curated by ChEMBL					Assay Description Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry				Bioorg Med Chem 22: 478-87 (2013) Article DOI: 10.1016/j.bmc.2013.11.003 BindingDB Entry DOI: 10.7270/Q21Z45WT
					More data for this Ligand-Target Pair
Ezrin (Homo sapiens (Human))	BDBM50445465 (CHEMBL3104725) Show SMILES Oc1ccc(CC=Nc2cc(O)c3cccnc3c2O)cc1O |w:7.7| Show InChI InChI=1S/C17H14N2O4/c20-13-4-3-10(8-15(13)22)5-7-18-12-9-14(21)11-2-1-6-19-16(11)17(12)23/h1-4,6-9,20-23H,5H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a
George Mason University Curated by ChEMBL					Assay Description Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry				Bioorg Med Chem 22: 478-87 (2013) Article DOI: 10.1016/j.bmc.2013.11.003 BindingDB Entry DOI: 10.7270/Q21Z45WT
					More data for this Ligand-Target Pair
Ezrin (Homo sapiens (Human))	BDBM50106508 (7-[2-(3,5-Dibromo-4-hydroxy-phenyl)-ethylamino]-qu...) Show SMILES Oc1cc(N=CCc2cc(Br)c(O)c(Br)c2)c(O)c2ncccc12 |w:5.5| Show InChI InChI=1S/C17H12Br2N2O3/c18-11-6-9(7-12(19)16(11)23)3-5-20-13-8-14(22)10-2-1-4-21-15(10)17(13)24/h1-2,4-8,22-24H,3H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a
George Mason University Curated by ChEMBL					Assay Description Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry				Bioorg Med Chem 22: 478-87 (2013) Article DOI: 10.1016/j.bmc.2013.11.003 BindingDB Entry DOI: 10.7270/Q21Z45WT
					More data for this Ligand-Target Pair
Ezrin (Homo sapiens (Human))	BDBM50445467 (CHEMBL3104723) Show SMILES COc1ccc(CC=Nc2cc(O)c3cccnc3c2O)cc1Br |w:8.8| Show InChI InChI=1S/C18H15BrN2O3/c1-24-16-5-4-11(9-13(16)19)6-8-20-14-10-15(22)12-3-2-7-21-17(12)18(14)23/h2-5,7-10,22-23H,6H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.74E+4	n/a	n/a	n/a	n/a	n/a
George Mason University Curated by ChEMBL					Assay Description Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry				Bioorg Med Chem 22: 478-87 (2013) Article DOI: 10.1016/j.bmc.2013.11.003 BindingDB Entry DOI: 10.7270/Q21Z45WT
					More data for this Ligand-Target Pair
Ezrin (Homo sapiens (Human))	BDBM50445468 (CHEMBL3104722) Show SMILES COc1ccc(CC=Nc2cc(O)c3cccnc3c2O)cc1Cl |w:8.8| Show InChI InChI=1S/C18H15ClN2O3/c1-24-16-5-4-11(9-13(16)19)6-8-20-14-10-15(22)12-3-2-7-21-17(12)18(14)23/h2-5,7-10,22-23H,6H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a
George Mason University Curated by ChEMBL					Assay Description Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry				Bioorg Med Chem 22: 478-87 (2013) Article DOI: 10.1016/j.bmc.2013.11.003 BindingDB Entry DOI: 10.7270/Q21Z45WT
					More data for this Ligand-Target Pair
Ezrin (Homo sapiens (Human))	BDBM50445469 (CHEMBL3104721) Show SMILES Oc1cc(N=CCc2cccc(Br)c2)c(O)c2ncccc12 |w:4.3| Show InChI InChI=1S/C17H13BrN2O2/c18-12-4-1-3-11(9-12)6-8-19-14-10-15(21)13-5-2-7-20-16(13)17(14)22/h1-5,7-10,21-22H,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a
George Mason University Curated by ChEMBL					Assay Description Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry				Bioorg Med Chem 22: 478-87 (2013) Article DOI: 10.1016/j.bmc.2013.11.003 BindingDB Entry DOI: 10.7270/Q21Z45WT
					More data for this Ligand-Target Pair
Ezrin (Homo sapiens (Human))	BDBM50445470 (CHEMBL3104716) Show SMILES Oc1cc(N=CCc2cc(Br)c(O)c(Br)c2)c(O)c2cnccc12 |w:4.3| Show InChI InChI=1S/C17H12Br2N2O3/c18-12-5-9(6-13(19)17(12)24)1-4-21-14-7-15(22)10-2-3-20-8-11(10)16(14)23/h2-8,22-24H,1H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.01E+4	n/a	n/a	n/a	n/a	n/a
George Mason University Curated by ChEMBL					Assay Description Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry				Bioorg Med Chem 22: 478-87 (2013) Article DOI: 10.1016/j.bmc.2013.11.003 BindingDB Entry DOI: 10.7270/Q21Z45WT
					More data for this Ligand-Target Pair
Ezrin (Homo sapiens (Human))	BDBM50445466 (CHEMBL3104724) Show SMILES Oc1ccc(CC=Nc2cc(O)c3cccnc3c2O)cc1 |w:7.7| Show InChI InChI=1S/C17H14N2O3/c20-12-5-3-11(4-6-12)7-9-18-14-10-15(21)13-2-1-8-19-16(13)17(14)22/h1-6,8-10,20-22H,7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a
George Mason University Curated by ChEMBL					Assay Description Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry				Bioorg Med Chem 22: 478-87 (2013) Article DOI: 10.1016/j.bmc.2013.11.003 BindingDB Entry DOI: 10.7270/Q21Z45WT
					More data for this Ligand-Target Pair