Compile Data Set for Download or QSAR

Found 6 hits of ic50 data for polymerid = 50004866   

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
14-3-3 protein sigma (Homo sapiens (Human))	BDBM50462080 (CHEMBL4250552) Show SMILES Oc1ccc(CCNC(=O)[C@H](COP(O)(O)=O)NC(=O)CNC(=O)c2ccc(cc2)N=[N+]=[N-])cc1 |r| Show InChI InChI=1S/C20H23N6O8P/c21-26-25-15-5-3-14(4-6-15)19(29)23-11-18(28)24-17(12-34-35(31,32)33)20(30)22-10-9-13-1-7-16(27)8-2-13/h1-8,17,27H,9-12H2,(H,22,30)(H,23,29)(H,24,28)(H2,31,32,33)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eindhoven University of Technology Curated by ChEMBL					Assay Description Inhibition of TMR-GG-RLSHpSSLPG-NH2 binding to recombinant human GST-tagged 14-3-3-sigma preincubated for 30 mins followed by TMR-GG-RLSHpSSLPG-NH2 a...				J Med Chem 61: 3755-3778 (2018) Article DOI: 10.1021/acs.jmedchem.7b00574 BindingDB Entry DOI: 10.7270/Q2RB7781
					More data for this Ligand-Target Pair
14-3-3 protein sigma (Homo sapiens (Human))	BDBM50462078 (CHEMBL4243744) Show SMILES Oc1ccc(CCNC(=O)[C@H](COP(O)(O)=O)NC(=O)CNC(=O)c2ccc(CCl)cc2)cc1 |r| Show InChI InChI=1S/C21H25ClN3O8P/c22-11-15-1-5-16(6-2-15)20(28)24-12-19(27)25-18(13-33-34(30,31)32)21(29)23-10-9-14-3-7-17(26)8-4-14/h1-8,18,26H,9-13H2,(H,23,29)(H,24,28)(H,25,27)(H2,30,31,32)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eindhoven University of Technology Curated by ChEMBL					Assay Description Inhibition of TMR-GG-RLSHpSSLPG-NH2 binding to recombinant human GST-tagged 14-3-3-sigma preincubated for 30 mins followed by TMR-GG-RLSHpSSLPG-NH2 a...				J Med Chem 61: 3755-3778 (2018) Article DOI: 10.1021/acs.jmedchem.7b00574 BindingDB Entry DOI: 10.7270/Q2RB7781
					More data for this Ligand-Target Pair
14-3-3 protein sigma (Homo sapiens (Human))	BDBM50462085 (CHEMBL4240436) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-[#6@@H](-[#6]-[#8]P([#8])([#8])=O)-[#6](=O)-[#7]-[#6]-c1ccc2-[#8]-[#6]-[#8]-c2c1 |r| Show InChI InChI=1S/C16H21N2O8P/c1-10(2)5-15(19)18-12(8-26-27(21,22)23)16(20)17-7-11-3-4-13-14(6-11)25-9-24-13/h3-6,12H,7-9H2,1-2H3,(H,17,20)(H,18,19)(H2,21,22,23)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eindhoven University of Technology Curated by ChEMBL					Assay Description Inhibition of TMR-GG-RLSHpSSLPG-NH2 binding to recombinant human GST-tagged 14-3-3-sigma preincubated for 30 mins followed by TMR-GG-RLSHpSSLPG-NH2 a...				J Med Chem 61: 3755-3778 (2018) Article DOI: 10.1021/acs.jmedchem.7b00574 BindingDB Entry DOI: 10.7270/Q2RB7781
					More data for this Ligand-Target Pair
14-3-3 protein sigma (Homo sapiens (Human))	BDBM50462083 (CHEMBL4237531) Show SMILES OP(O)(=O)OC[C@H](NC(=O)CNC(=O)c1ccc(CCl)cc1)C(=O)NCc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C21H23ClN3O9P/c22-8-13-1-4-15(5-2-13)20(27)24-10-19(26)25-16(11-34-35(29,30)31)21(28)23-9-14-3-6-17-18(7-14)33-12-32-17/h1-7,16H,8-12H2,(H,23,28)(H,24,27)(H,25,26)(H2,29,30,31)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eindhoven University of Technology Curated by ChEMBL					Assay Description Inhibition of TMR-GG-RLSHpSSLPG-NH2 binding to recombinant human GST-tagged 14-3-3-sigma preincubated for 30 mins followed by TMR-GG-RLSHpSSLPG-NH2 a...				J Med Chem 61: 3755-3778 (2018) Article DOI: 10.1021/acs.jmedchem.7b00574 BindingDB Entry DOI: 10.7270/Q2RB7781
					More data for this Ligand-Target Pair
14-3-3 protein sigma (Homo sapiens (Human))	BDBM50462084 (CHEMBL4247540) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-[#6@@H](-[#6]-[#8]P([#8])([#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-c1ccc(-[#8])cc1 |r| Show InChI InChI=1S/C16H23N2O7P/c1-11(2)9-15(20)18-14(10-25-26(22,23)24)16(21)17-8-7-12-3-5-13(19)6-4-12/h3-6,9,14,19H,7-8,10H2,1-2H3,(H,17,21)(H,18,20)(H2,22,23,24)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eindhoven University of Technology Curated by ChEMBL					Assay Description Inhibition of TMR-GG-RLSHpSSLPG-NH2 binding to recombinant human GST-tagged 14-3-3-sigma preincubated for 30 mins followed by TMR-GG-RLSHpSSLPG-NH2 a...				J Med Chem 61: 3755-3778 (2018) Article DOI: 10.1021/acs.jmedchem.7b00574 BindingDB Entry DOI: 10.7270/Q2RB7781
					More data for this Ligand-Target Pair
14-3-3 protein sigma (Homo sapiens (Human))	BDBM50177030 (CHEMBL3813927) Show SMILES OP(O)(=O)c1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl Show InChI InChI=1S/C14H12Cl2NO5P/c15-9-4-3-5-10(14(9)16)17-13(18)8-22-11-6-1-2-7-12(11)23(19,20)21/h1-7H,8H2,(H,17,18)(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Curated by ChEMBL					Assay Description Inhibition of 14-3-3sigma (unknown origin) assessed as reduction in 14-3-3sigma- mediated increase in MMP1 mRNA by cell based assay				Bioorg Med Chem 24: 3246-54 (2016) Article DOI: 10.1016/j.bmc.2016.03.023 BindingDB Entry DOI: 10.7270/Q2JD4ZQ7
					More data for this Ligand-Target Pair				3D Structure (crystal)