Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 6990   

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
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM165192 (4-((8-Methylnonanamido)methyl)-1,2-phenylene bis(d...) Show SMILES CC(C)CCCCCCC(=O)NCc1ccc(OP(O)(O)=O)c(OP(O)(O)=O)c1 Show InChI InChI=1S/C17H29NO9P2/c1-13(2)7-5-3-4-6-8-17(19)18-12-14-9-10-15(26-28(20,21)22)16(11-14)27-29(23,24)25/h9-11,13H,3-8,12H2,1-2H3,(H,18,19)(H2,20,21,22)(H2,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	340	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig					Assay Description For competition-based fluorescence polarization assays, the ability of the test compounds to displace fluorophore-labeled peptides from their respect...				ACS Chem Biol 10: 2884-90 (2015) Article DOI: 10.1021/acschembio.5b00817 BindingDB Entry DOI: 10.7270/Q2P55M8G
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM165193 (4-(Nonanamidomethyl)-1,2-phenylene bis(dihydrogen ...) Show SMILES CCCCCCCCC(=O)NCc1ccc(OP(O)(O)=O)c(OP(O)(O)=O)c1 Show InChI InChI=1S/C16H27NO9P2/c1-2-3-4-5-6-7-8-16(18)17-12-13-9-10-14(25-27(19,20)21)15(11-13)26-28(22,23)24/h9-11H,2-8,12H2,1H3,(H,17,18)(H2,19,20,21)(H2,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	390	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig					Assay Description For competition-based fluorescence polarization assays, the ability of the test compounds to displace fluorophore-labeled peptides from their respect...				ACS Chem Biol 10: 2884-90 (2015) Article DOI: 10.1021/acschembio.5b00817 BindingDB Entry DOI: 10.7270/Q2P55M8G
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5A (Homo sapiens (Human))	BDBM165193 (4-(Nonanamidomethyl)-1,2-phenylene bis(dihydrogen ...) Show SMILES CCCCCCCCC(=O)NCc1ccc(OP(O)(O)=O)c(OP(O)(O)=O)c1 Show InChI InChI=1S/C16H27NO9P2/c1-2-3-4-5-6-7-8-16(18)17-12-13-9-10-14(25-27(19,20)21)15(11-13)26-28(22,23)24/h9-11H,2-8,12H2,1H3,(H,17,18)(H2,19,20,21)(H2,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.23E+4	n/a	2.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig					Assay Description For competition-based fluorescence polarization assays, the ability of the test compounds to displace fluorophore-labeled peptides from their respect...				ACS Chem Biol 10: 2884-90 (2015) Article DOI: 10.1021/acschembio.5b00817 BindingDB Entry DOI: 10.7270/Q2P55M8G
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5A (Homo sapiens (Human))	BDBM165192 (4-((8-Methylnonanamido)methyl)-1,2-phenylene bis(d...) Show SMILES CC(C)CCCCCCC(=O)NCc1ccc(OP(O)(O)=O)c(OP(O)(O)=O)c1 Show InChI InChI=1S/C17H29NO9P2/c1-13(2)7-5-3-4-6-8-17(19)18-12-14-9-10-15(26-28(20,21)22)16(11-14)27-29(23,24)25/h9-11,13H,3-8,12H2,1-2H3,(H,18,19)(H2,20,21,22)(H2,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	2.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig					Assay Description For competition-based fluorescence polarization assays, the ability of the test compounds to displace fluorophore-labeled peptides from their respect...				ACS Chem Biol 10: 2884-90 (2015) Article DOI: 10.1021/acschembio.5b00817 BindingDB Entry DOI: 10.7270/Q2P55M8G
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5A (Homo sapiens (Human))	BDBM165191 (2-Methoxy-4-(nonanamidomethyl)phenyl dihydrogen ph...) Show SMILES CCCCCCCCC(=O)NCc1ccc(OP(O)(O)=O)c(OC)c1 Show InChI InChI=1S/C17H28NO6P/c1-3-4-5-6-7-8-9-17(19)18-13-14-10-11-15(16(12-14)23-2)24-25(20,21)22/h10-12H,3-9,13H2,1-2H3,(H,18,19)(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.90E+4	n/a	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig					Assay Description For competition-based fluorescence polarization assays, the ability of the test compounds to displace fluorophore-labeled peptides from their respect...				ACS Chem Biol 10: 2884-90 (2015) Article DOI: 10.1021/acschembio.5b00817 BindingDB Entry DOI: 10.7270/Q2P55M8G
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5A (Homo sapiens (Human))	BDBM165190 (2-Methoxy-4-((8-methylnonanamido)methyl)phenyl dih...) Show SMILES COc1cc(CNC(=O)CCCCCCC(C)C)ccc1OP(O)(O)=O Show InChI InChI=1S/C18H30NO6P/c1-14(2)8-6-4-5-7-9-18(20)19-13-15-10-11-16(17(12-15)24-3)25-26(21,22)23/h10-12,14H,4-9,13H2,1-3H3,(H,19,20)(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.50E+4	n/a	1.52E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig					Assay Description For competition-based fluorescence polarization assays, the ability of the test compounds to displace fluorophore-labeled peptides from their respect...				ACS Chem Biol 10: 2884-90 (2015) Article DOI: 10.1021/acschembio.5b00817 BindingDB Entry DOI: 10.7270/Q2P55M8G
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM165191 (2-Methoxy-4-(nonanamidomethyl)phenyl dihydrogen ph...) Show SMILES CCCCCCCCC(=O)NCc1ccc(OP(O)(O)=O)c(OC)c1 Show InChI InChI=1S/C17H28NO6P/c1-3-4-5-6-7-8-9-17(19)18-13-14-10-11-15(16(12-14)23-2)24-25(20,21)22/h10-12H,3-9,13H2,1-2H3,(H,18,19)(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.60E+4	n/a	1.96E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig					Assay Description For competition-based fluorescence polarization assays, the ability of the test compounds to displace fluorophore-labeled peptides from their respect...				ACS Chem Biol 10: 2884-90 (2015) Article DOI: 10.1021/acschembio.5b00817 BindingDB Entry DOI: 10.7270/Q2P55M8G
					More data for this Ligand-Target Pair