Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1579   

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
Interleukin-6 (Homo sapiens (Human))	BDBM331838 ((R)-7-[4-(2-ethoxycarbonyl-2-hydroxyethyl)oxy-2-me...) Show SMILES CCOC(=O)[C@H](O)COc1ccc(c(OC)c1)-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C Show InChI InChI=1S/C31H35FN2O7/c1-7-39-29(36)25(35)17-40-20-10-11-22(27(15-20)38-6)21-12-13-24-28(34(5)30(37)31(3,4)33-24)23(21)16-41-26-14-19(32)9-8-18(26)2/h8-15,25,33,35H,7,16-17H2,1-6H3/t25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
SANTEN PHARMACEUTICAL CO., LTD. US Patent					Assay Description o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...				US Patent US10189796 (2019) BindingDB Entry DOI: 10.7270/Q21G0PBH
					More data for this Ligand-Target Pair
Interleukin-6 (Homo sapiens (Human))	BDBM331841 ((S)-7-[4-(3-cyano-2-hydroxypropyl)oxy-2-methoxyphe...) Show SMILES COc1cc(OC[C@@H](O)CC#N)ccc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C Show InChI InChI=1S/C30H32FN3O5/c1-18-6-7-19(31)14-26(18)39-17-24-22(10-11-25-28(24)34(4)29(36)30(2,3)33-25)23-9-8-21(15-27(23)37-5)38-16-20(35)12-13-32/h6-11,14-15,20,33,35H,12,16-17H2,1-5H3/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
SANTEN PHARMACEUTICAL CO., LTD. US Patent					Assay Description o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...				US Patent US10189796 (2019) BindingDB Entry DOI: 10.7270/Q21G0PBH
					More data for this Ligand-Target Pair
Interleukin-6 (Homo sapiens (Human))	BDBM331840 ((R)-7-[4-(3-cyano-2-hydroxypropyl)oxy-2-methoxyphe...) Show SMILES COc1cc(OC[C@H](O)CC#N)ccc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C Show InChI InChI=1S/C30H32FN3O5/c1-18-6-7-19(31)14-26(18)39-17-24-22(10-11-25-28(24)34(4)29(36)30(2,3)33-25)23-9-8-21(15-27(23)37-5)38-16-20(35)12-13-32/h6-11,14-15,20,33,35H,12,16-17H2,1-5H3/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
SANTEN PHARMACEUTICAL CO., LTD. US Patent					Assay Description o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...				US Patent US10189796 (2019) BindingDB Entry DOI: 10.7270/Q21G0PBH
					More data for this Ligand-Target Pair
Interleukin-6 (Homo sapiens (Human))	BDBM331839 ((S)-7-[4-(2,4-dihydroxybutyl)oxy-2-methoxyphenyl]-...) Show SMILES COc1cc(OC[C@@H](O)CCO)ccc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C Show InChI InChI=1S/C30H35FN2O6/c1-18-6-7-19(31)14-26(18)39-17-24-22(10-11-25-28(24)33(4)29(36)30(2,3)32-25)23-9-8-21(15-27(23)37-5)38-16-20(35)12-13-34/h6-11,14-15,20,32,34-35H,12-13,16-17H2,1-5H3/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
SANTEN PHARMACEUTICAL CO., LTD. US Patent					Assay Description o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...				US Patent US10189796 (2019) BindingDB Entry DOI: 10.7270/Q21G0PBH
					More data for this Ligand-Target Pair
Interleukin-6 (Homo sapiens (Human))	BDBM331836 ((S)-8-(5-fluoro-2-methylphenoxymethyl)-7-[4-(2-hyd...) Show SMILES COc1cc(OC[C@H](C)O)ccc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C Show InChI InChI=1S/C29H33FN2O5/c1-17-7-8-19(30)13-25(17)37-16-23-21(11-12-24-27(23)32(5)28(34)29(3,4)31-24)22-10-9-20(14-26(22)35-6)36-15-18(2)33/h7-14,18,31,33H,15-16H2,1-6H3/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
SANTEN PHARMACEUTICAL CO., LTD. US Patent					Assay Description o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...				US Patent US10189796 (2019) BindingDB Entry DOI: 10.7270/Q21G0PBH
					More data for this Ligand-Target Pair
Interleukin-6 (Homo sapiens (Human))	BDBM331837 ((R)-8-(5-fluoro-2-methylphenoxymethyl)-7-[4-(2-hyd...) Show SMILES CC[C@@H](O)COc1ccc(c(OC)c1)-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C Show InChI InChI=1S/C30H35FN2O5/c1-7-20(34)16-37-21-10-11-23(27(15-21)36-6)22-12-13-25-28(33(5)29(35)30(3,4)32-25)24(22)17-38-26-14-19(31)9-8-18(26)2/h8-15,20,32,34H,7,16-17H2,1-6H3/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
SANTEN PHARMACEUTICAL CO., LTD. US Patent					Assay Description o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...				US Patent US10189796 (2019) BindingDB Entry DOI: 10.7270/Q21G0PBH
					More data for this Ligand-Target Pair
Interleukin-6 (Homo sapiens (Human))	BDBM331842 (7-[4-(3-t-butoxycarbonyl-2-hydroxypropyl)oxy-2-met...) Show SMILES COc1cc(OCC(O)CC(=O)OC(C)(C)C)ccc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C Show InChI InChI=1S/C34H41FN2O7/c1-20-9-10-21(35)15-28(20)43-19-26-24(13-14-27-31(26)37(7)32(40)34(5,6)36-27)25-12-11-23(17-29(25)41-8)42-18-22(38)16-30(39)44-33(2,3)4/h9-15,17,22,36,38H,16,18-19H2,1-8H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
SANTEN PHARMACEUTICAL CO., LTD. US Patent					Assay Description o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...				US Patent US10189796 (2019) BindingDB Entry DOI: 10.7270/Q21G0PBH
					More data for this Ligand-Target Pair
Interleukin-6 (Homo sapiens (Human))	BDBM331844 (8-(5-fluoro-2-methylphenoxymethyl)-7-(5-hydroxy-2-...) Show SMILES COc1ccc(O)cc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C Show InChI InChI=1S/C26H27FN2O4/c1-15-6-7-16(27)12-23(15)33-14-20-18(19-13-17(30)8-11-22(19)32-5)9-10-21-24(20)29(4)25(31)26(2,3)28-21/h6-13,28,30H,14H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
SANTEN PHARMACEUTICAL CO., LTD. US Patent					Assay Description o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...				US Patent US10189796 (2019) BindingDB Entry DOI: 10.7270/Q21G0PBH
					More data for this Ligand-Target Pair
Interleukin-6 (Homo sapiens (Human))	BDBM331843 (8-(5-fluoro-2-methylphenoxymethyl)-7-(5-hydroxymet...) Show SMILES COc1ccc(CO)cc1-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C Show InChI InChI=1S/C27H29FN2O4/c1-16-6-8-18(28)13-24(16)34-15-21-19(20-12-17(14-31)7-11-23(20)33-5)9-10-22-25(21)30(4)26(32)27(2,3)29-22/h6-13,29,31H,14-15H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
SANTEN PHARMACEUTICAL CO., LTD. US Patent					Assay Description o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...				US Patent US10189796 (2019) BindingDB Entry DOI: 10.7270/Q21G0PBH
					More data for this Ligand-Target Pair