Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'triola' and Initial = 'g'   

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
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528267 (CHEMBL4469737) Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cccc2ccccc12 |r| Show InChI InChI=1S/C24H23FN2O4/c25-14-20(28)15-26-23(29)22(13-17-7-2-1-3-8-17)27-24(30)31-16-19-11-6-10-18-9-4-5-12-21(18)19/h1-12,22H,13-16H2,(H,26,29)(H,27,30)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4367 ((3Z)-2-amino-3-[(3,4,5-trihydroxyphenyl)methyliden...) Show SMILES Oc1cc(C=C(C#N)C(=N)C(C#N)C#N)cc(O)c1O |w:4.3| Show InChI InChI=1S/C13H8N4O3/c14-4-8(12(17)9(5-15)6-16)1-7-2-10(18)13(20)11(19)3-7/h1-3,9,17-20H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem 17: 1079-87 (2009) Article DOI: 10.1016/j.bmc.2008.02.046 BindingDB Entry DOI: 10.7270/Q2M046C4
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM60996 (5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-...) Show SMILES [#8]-[#6](=O)-[#6]-1=[#6]\[#6](-[#6]=[#6]-[#6]-1=O)=[#6](\c1ccc(-[#8])c(c1)-[#6](-[#8])=O)-c1ccc(-[#8])c(c1)-[#6](-[#8])=O |c:6,t:3| Show InChI InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using ProLC3B as substrate by LC/MS analysis				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4363 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethio...) Show SMILES NC(=S)C(=C\c1ccc(O)c(O)c1)\C#N Show InChI InChI=1S/C10H8N2O2S/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem 17: 1079-87 (2009) Article DOI: 10.1016/j.bmc.2008.02.046 BindingDB Entry DOI: 10.7270/Q2M046C4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM24941 ((2Z)-2-{[(2,5-dibromophenyl)amino](hydroxy)methyli...) Show SMILES CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br Show InChI InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,8H,1H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of BTK				Bioorg Med Chem 17: 1079-87 (2009) Article DOI: 10.1016/j.bmc.2008.02.046 BindingDB Entry DOI: 10.7270/Q2M046C4
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM4078 (6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...) Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of recombinant ATG4B (unknown origin) expressed in Escherichia coli BL21(DE3) using LC3-PLA2 as substrate by fluoroscence based assay				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528264 (CHEMBL4532799) Show SMILES CCN(CC)CCCNC(=O)c1cnc2Cc3ccccc3-c3cccc1c23 Show InChI InChI=1S/C24H27N3O/c1-3-27(4-2)14-8-13-25-24(28)21-16-26-22-15-17-9-5-6-10-18(17)19-11-7-12-20(21)23(19)22/h5-7,9-12,16H,3-4,8,13-15H2,1-2H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using FRET-GABARAPL2 as substrate preincubated for 30 mins followed by substrate addition and measured after 30 ...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5718 (2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...) Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12 Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin B				Bioorg Med Chem 17: 1079-87 (2009) Article DOI: 10.1016/j.bmc.2008.02.046 BindingDB Entry DOI: 10.7270/Q2M046C4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5718 (2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...) Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12 Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E				Bioorg Med Chem 17: 1079-87 (2009) Article DOI: 10.1016/j.bmc.2008.02.046 BindingDB Entry DOI: 10.7270/Q2M046C4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528273 (CHEMBL4463430) Show SMILES CCCCC(O)CNc1cc2NC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C17H20N2O2/c1-2-3-6-13(20)10-18-12-8-11-5-4-7-14-16(11)15(9-12)19-17(14)21/h4-5,7-9,13,18,20H,2-3,6,10H2,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C)Biotin as substrate preincubated for 30 mins and measured after 1 hr by AlphaScreen me...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528266 (CHEMBL4473994) Show SMILES CCC(O)CNc1cc2NC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C15H16N2O2/c1-2-11(18)8-16-10-6-9-4-3-5-12-14(9)13(7-10)17-15(12)19/h3-7,11,16,18H,2,8H2,1H3,(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C) as substrate preincubated for 1 hr followed by substrate addition and measured after ...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528268 (CHEMBL4559082) Show SMILES OC(=O)CCSC(SCCc1ccccc1)c1ccc(\C=C\c2ccnc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C29H26ClNO2S2/c30-25-12-13-26-23(14-17-31-27(26)20-25)9-6-22-7-10-24(11-8-22)29(35-19-16-28(32)33)34-18-15-21-4-2-1-3-5-21/h1-14,17,20,29H,15-16,18-19H2,(H,32,33)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using pim-FG-PABA-AMC as substrate preincubated for 30 mins followed by substrate addition and measured every 15...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 3 (Homo sapiens (Human))	BDBM5718 (2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...) Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12 Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of ERK1/MAPK				Bioorg Med Chem 17: 1079-87 (2009) Article DOI: 10.1016/j.bmc.2008.02.046 BindingDB Entry DOI: 10.7270/Q2M046C4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528266 (CHEMBL4473994) Show SMILES CCC(O)CNc1cc2NC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C15H16N2O2/c1-2-11(18)8-16-10-6-9-4-3-5-12-14(9)13(7-10)17-15(12)19/h3-7,11,16,18H,2,8H2,1H3,(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C)Biotin as substrate preincubated for 30 mins and measured after 1 hr by AlphaScreen me...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528272 (CHEMBL4472673) Show SMILES CCC(O)CNc1cc2C(=O)Nc3cccc(c1)c23 Show InChI InChI=1S/C15H16N2O2/c1-2-11(18)8-16-10-6-9-4-3-5-13-14(9)12(7-10)15(19)17-13/h3-7,11,16,18H,2,8H2,1H3,(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C) as substrate preincubated for 1 hr followed by substrate addition and measured after ...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528274 (CHEMBL4573305) Show SMILES CC[C@H](O)CNc1cc2C(=O)Nc3cccc(c1)c23 |r| Show InChI InChI=1S/C15H16N2O2/c1-2-11(18)8-16-10-6-9-4-3-5-13-14(9)12(7-10)15(19)17-13/h3-7,11,16,18H,2,8H2,1H3,(H,17,19)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C) as substrate preincubated for 1 hr followed by substrate addition and measured after ...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM34545 (MLS000104342 | N-(2-pyridinyl)-2-pyridinecarbothio...) Show SMILES S=C(Nc1ccccn1)c1ccccn1 Show InChI InChI=1S/C11H9N3S/c15-11(9-5-1-3-7-12-9)14-10-6-2-4-8-13-10/h1-8H,(H,13,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using GST-labelled LC3B as substrate after 24 hrs followed by substrate addition and measured after 3 mins by co...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528265 (CHEMBL4441269) Show SMILES CC[C@@H](O)CNc1cc2C(=O)Nc3cccc(c1)c23 |r| Show InChI InChI=1S/C15H16N2O2/c1-2-11(18)8-16-10-6-9-4-3-5-13-14(9)12(7-10)15(19)17-13/h3-7,11,16,18H,2,8H2,1H3,(H,17,19)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C) as substrate preincubated for 1 hr followed by substrate addition and measured after ...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528276 (CHEMBL4569246) Show SMILES CCC(O)CNc1cc2NC(=O)c3cc(NCC(O)CC)cc(c1)c23 Show InChI InChI=1S/C19H25N3O3/c1-3-14(23)9-20-12-5-11-6-13(21-10-15(24)4-2)8-17-18(11)16(7-12)19(25)22-17/h5-8,14-15,20-21,23-24H,3-4,9-10H2,1-2H3,(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C) as substrate preincubated for 1 hr followed by substrate addition and measured after ...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528276 (CHEMBL4569246) Show SMILES CCC(O)CNc1cc2NC(=O)c3cc(NCC(O)CC)cc(c1)c23 Show InChI InChI=1S/C19H25N3O3/c1-3-14(23)9-20-12-5-11-6-13(21-10-15(24)4-2)8-17-18(11)16(7-12)19(25)22-17/h5-8,14-15,20-21,23-24H,3-4,9-10H2,1-2H3,(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C)Biotin as substrate preincubated for 30 mins and measured after 1 hr by AlphaScreen me...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528271 (CHEMBL4436104) Show SMILES OC(CCl)CNc1cc2NC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C14H13ClN2O2/c15-6-10(18)7-16-9-4-8-2-1-3-11-13(8)12(5-9)17-14(11)19/h1-5,10,16,18H,6-7H2,(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C)Biotin as substrate preincubated for 30 mins and measured after 1 hr by AlphaScreen me...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528269 (CHEMBL4540862) Show SMILES O=C(N\N=C\c1ccc2CCCc2c1)\C=C1\Nc2ccccc2NC1=O Show InChI InChI=1S/C20H18N4O2/c25-19(11-18-20(26)23-17-7-2-1-6-16(17)22-18)24-21-12-13-8-9-14-4-3-5-15(14)10-13/h1-2,6-12,22H,3-5H2,(H,23,26)(H,24,25)/b18-11+,21-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C) as substrate preincubated for 1 hr followed by substrate addition and measured after ...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528271 (CHEMBL4436104) Show SMILES OC(CCl)CNc1cc2NC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C14H13ClN2O2/c15-6-10(18)7-16-9-4-8-2-1-3-11-13(8)12(5-9)17-14(11)19/h1-5,10,16,18H,6-7H2,(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C) as substrate preincubated for 1 hr followed by substrate addition and measured after ...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528278 (CHEMBL1991046) Show SMILES OC(CCl)CNc1cc2C(=O)Nc3cccc(c1)c23 Show InChI InChI=1S/C14H13ClN2O2/c15-6-10(18)7-16-9-4-8-2-1-3-12-13(8)11(5-9)14(19)17-12/h1-5,10,16,18H,6-7H2,(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C) as substrate preincubated for 1 hr followed by substrate addition and measured after ...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528269 (CHEMBL4540862) Show SMILES O=C(N\N=C\c1ccc2CCCc2c1)\C=C1\Nc2ccccc2NC1=O Show InChI InChI=1S/C20H18N4O2/c25-19(11-18-20(26)23-17-7-2-1-6-16(17)22-18)24-21-12-13-8-9-14-4-3-5-15(14)10-13/h1-2,6-12,22H,3-5H2,(H,23,26)(H,24,25)/b18-11+,21-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.04E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C)Biotin as substrate preincubated for 30 mins and measured after 1 hr by AlphaScreen me...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528272 (CHEMBL4472673) Show SMILES CCC(O)CNc1cc2C(=O)Nc3cccc(c1)c23 Show InChI InChI=1S/C15H16N2O2/c1-2-11(18)8-16-10-6-9-4-3-5-13-14(9)12(7-10)15(19)17-13/h3-7,11,16,18H,2,8H2,1H3,(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C)Biotin as substrate preincubated for 30 mins and measured after 1 hr by AlphaScreen me...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528274 (CHEMBL4573305) Show SMILES CC[C@H](O)CNc1cc2C(=O)Nc3cccc(c1)c23 |r| Show InChI InChI=1S/C15H16N2O2/c1-2-11(18)8-16-10-6-9-4-3-5-13-14(9)12(7-10)15(19)17-13/h3-7,11,16,18H,2,8H2,1H3,(H,17,19)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.13E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C)Biotin as substrate preincubated for 30 mins and measured after 1 hr by AlphaScreen me...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528265 (CHEMBL4441269) Show SMILES CC[C@@H](O)CNc1cc2C(=O)Nc3cccc(c1)c23 |r| Show InChI InChI=1S/C15H16N2O2/c1-2-11(18)8-16-10-6-9-4-3-5-13-14(9)12(7-10)15(19)17-13/h3-7,11,16,18H,2,8H2,1H3,(H,17,19)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C)Biotin as substrate preincubated for 30 mins and measured after 1 hr by AlphaScreen me...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528278 (CHEMBL1991046) Show SMILES OC(CCl)CNc1cc2C(=O)Nc3cccc(c1)c23 Show InChI InChI=1S/C14H13ClN2O2/c15-6-10(18)7-16-9-4-8-2-1-3-12-13(8)11(5-9)14(19)17-12/h1-5,10,16,18H,6-7H2,(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.32E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C)Biotin as substrate preincubated for 30 mins and measured after 1 hr by AlphaScreen me...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528275 (CHEMBL4450352) Show SMILES Oc1ccc(cc1)-c1nc2cccc3cccc([nH]1)c23 Show InChI InChI=1S/C17H12N2O/c20-13-9-7-12(8-10-13)17-18-14-5-1-3-11-4-2-6-15(19-17)16(11)14/h1-10,20H,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C) as substrate preincubated for 1 hr followed by substrate addition and measured after ...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528263 (CHEMBL4572018) Show SMILES CCCCC(O)CNc1cc2C(=O)Nc3cccc(c1)c23 Show InChI InChI=1S/C17H20N2O2/c1-2-3-6-13(20)10-18-12-8-11-5-4-7-15-16(11)14(9-12)17(21)19-15/h4-5,7-9,13,18,20H,2-3,6,10H2,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C) as substrate preincubated for 1 hr followed by substrate addition and measured after ...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528263 (CHEMBL4572018) Show SMILES CCCCC(O)CNc1cc2C(=O)Nc3cccc(c1)c23 Show InChI InChI=1S/C17H20N2O2/c1-2-3-6-13(20)10-18-12-8-11-5-4-7-15-16(11)14(9-12)17(21)19-15/h4-5,7-9,13,18,20H,2-3,6,10H2,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C)Biotin as substrate preincubated for 30 mins and measured after 1 hr by AlphaScreen me...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528277 (CHEMBL4585551) Show SMILES OC(CCl)CNc1ccc2NC(=O)c3cccc1c23 Show InChI InChI=1S/C14H13ClN2O2/c15-6-8(18)7-16-11-4-5-12-13-9(11)2-1-3-10(13)14(19)17-12/h1-5,8,16,18H,6-7H2,(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C) as substrate preincubated for 1 hr followed by substrate addition and measured after ...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528275 (CHEMBL4450352) Show SMILES Oc1ccc(cc1)-c1nc2cccc3cccc([nH]1)c23 Show InChI InChI=1S/C17H12N2O/c20-13-9-7-12(8-10-13)17-18-14-5-1-3-11-4-2-6-15(19-17)16(11)14/h1-10,20H,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C)Biotin as substrate preincubated for 30 mins and measured after 1 hr by AlphaScreen me...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528277 (CHEMBL4585551) Show SMILES OC(CCl)CNc1ccc2NC(=O)c3cccc1c23 Show InChI InChI=1S/C14H13ClN2O2/c15-6-8(18)7-16-11-4-5-12-13-9(11)2-1-3-10(13)14(19)17-12/h1-5,8,16,18H,6-7H2,(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C)Biotin as substrate preincubated for 30 mins and measured after 1 hr by AlphaScreen me...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50528270 (CHEMBL4586459) Show SMILES Oc1ccccc1\C=N\NC(=O)\C=C1\Nc2cc(Cl)c(Cl)cc2NC1=O Show InChI InChI=1S/C17H12Cl2N4O3/c18-10-5-12-13(6-11(10)19)22-17(26)14(21-12)7-16(25)23-20-8-9-3-1-2-4-15(9)24/h1-8,21,24H,(H,22,26)(H,23,25)/b14-7+,20-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C)Biotin as substrate preincubated for 30 mins and measured after 1 hr by AlphaScreen me...				Eur J Med Chem 178: 648-666 (2019) Article DOI: 10.1016/j.ejmech.2019.05.086 BindingDB Entry DOI: 10.7270/Q2V40ZNV
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM4363 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethio...) Show SMILES NC(=S)C(=C\c1ccc(O)c(O)c1)\C#N Show InChI InChI=1S/C10H8N2O2S/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of IRK				Bioorg Med Chem 17: 1079-87 (2009) Article DOI: 10.1016/j.bmc.2008.02.046 BindingDB Entry DOI: 10.7270/Q2M046C4
					More data for this Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (Homo sapiens (Human))	BDBM50019852 (CHEMBL3286917) Show SMILES C(Cn1ccnc1-c1ccccc1)Oc1ccc(cc1)-c1nc2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C31H26N4O/c1-3-9-24(10-4-1)23-35-29-14-8-7-13-28(29)33-31(35)26-15-17-27(18-16-26)36-22-21-34-20-19-32-30(34)25-11-5-2-6-12-25/h1-20H,21-23H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Binding affinity to His6-tagged PDE-delta (unknown origin) measured every 3 mins by fluorescence polarization assay				J Med Chem 57: 5435-48 (2014) Article DOI: 10.1021/jm500632s BindingDB Entry DOI: 10.7270/Q24Q7WJP
					More data for this Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (Homo sapiens (Human))	BDBM50019853 (CHEMBL3286918) Show SMILES Cc1nc2ccccc2n1CCOc1ccc(cc1)-c1nc2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C30H26N4O/c1-22-31-26-11-5-7-13-28(26)33(22)19-20-35-25-17-15-24(16-18-25)30-32-27-12-6-8-14-29(27)34(30)21-23-9-3-2-4-10-23/h2-18H,19-21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Binding affinity to His6-tagged PDE-delta (unknown origin) measured every 3 mins by fluorescence polarization assay				J Med Chem 57: 5435-48 (2014) Article DOI: 10.1021/jm500632s BindingDB Entry DOI: 10.7270/Q24Q7WJP
					More data for this Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (Homo sapiens (Human))	BDBM50019854 (CHEMBL3286919) Show SMILES C=CC(=O)Oc1ccc(cc1)-c1nc2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C23H18N2O2/c1-2-22(26)27-19-14-12-18(13-15-19)23-24-20-10-6-7-11-21(20)25(23)16-17-8-4-3-5-9-17/h2-15H,1,16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Binding affinity to His6-tagged PDE-delta (unknown origin) measured every 3 mins by fluorescence polarization assay				J Med Chem 57: 5435-48 (2014) Article DOI: 10.1021/jm500632s BindingDB Entry DOI: 10.7270/Q24Q7WJP
					More data for this Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (Homo sapiens (Human))	BDBM50019856 (CHEMBL3286920) Show SMILES C=CC(=O)N1CCC(CC1)c1nc2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C22H23N3O/c1-2-21(26)24-14-12-18(13-15-24)22-23-19-10-6-7-11-20(19)25(22)16-17-8-4-3-5-9-17/h2-11,18H,1,12-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Binding affinity to His6-tagged PDE-delta (unknown origin) measured every 3 mins by fluorescence polarization assay				J Med Chem 57: 5435-48 (2014) Article DOI: 10.1021/jm500632s BindingDB Entry DOI: 10.7270/Q24Q7WJP
					More data for this Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (Homo sapiens (Human))	BDBM50019857 (CHEMBL3286921) Show SMILES C=CC(=O)N1CCC(CC1)[C@@H](COc1ccc(cc1)-c1nc2ccccc2n1Cc1ccccc1)n1c(nc2ccccc12)-c1ccccc1 |r| Show InChI InChI=1S/C43H39N5O2/c1-2-41(49)46-27-25-32(26-28-46)40(48-39-20-12-10-18-37(39)45-43(48)33-15-7-4-8-16-33)30-50-35-23-21-34(22-24-35)42-44-36-17-9-11-19-38(36)47(42)29-31-13-5-3-6-14-31/h2-24,32,40H,1,25-30H2/t40-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Binding affinity to His6-tagged PDE-delta (unknown origin) measured every 3 mins by fluorescence polarization assay				J Med Chem 57: 5435-48 (2014) Article DOI: 10.1021/jm500632s BindingDB Entry DOI: 10.7270/Q24Q7WJP
					More data for this Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (Homo sapiens (Human))	BDBM18372 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...) Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Binding affinity to His6-tagged PDE-delta (unknown origin) measured every 3 mins by fluorescence polarization assay				J Med Chem 57: 5435-48 (2014) Article DOI: 10.1021/jm500632s BindingDB Entry DOI: 10.7270/Q24Q7WJP
					More data for this Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (Homo sapiens (Human))	BDBM50019858 (CHEMBL3286922) Show SMILES CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)NCCN(C)C)-c1ccccc1 |r| Show InChI InChI=1S/C37H45FN4O4/c1-25(2)35-34(37(46)40-29-13-9-6-10-14-29)33(26-11-7-5-8-12-26)36(27-15-17-28(38)18-16-27)42(35)21-19-30(43)23-31(44)24-32(45)39-20-22-41(3)4/h5-18,25,30-31,43-44H,19-24H2,1-4H3,(H,39,45)(H,40,46)/t30-,31-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Binding affinity to His6-tagged PDE-delta (unknown origin) measured every 3 mins by fluorescence polarization assay				J Med Chem 57: 5435-48 (2014) Article DOI: 10.1021/jm500632s BindingDB Entry DOI: 10.7270/Q24Q7WJP
					More data for this Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (Homo sapiens (Human))	BDBM50019859 (CHEMBL3286923) Show SMILES CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)N1CCOCC1)-c1ccccc1 |r| Show InChI InChI=1S/C37H42FN3O5/c1-25(2)35-34(37(45)39-29-11-7-4-8-12-29)33(26-9-5-3-6-10-26)36(27-13-15-28(38)16-14-27)41(35)18-17-30(42)23-31(43)24-32(44)40-19-21-46-22-20-40/h3-16,25,30-31,42-43H,17-24H2,1-2H3,(H,39,45)/t30-,31-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Binding affinity to His6-tagged PDE-delta (unknown origin) measured every 3 mins by fluorescence polarization assay				J Med Chem 57: 5435-48 (2014) Article DOI: 10.1021/jm500632s BindingDB Entry DOI: 10.7270/Q24Q7WJP
					More data for this Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (Homo sapiens (Human))	BDBM50019860 (CHEMBL3286924) Show SMILES COCCOCCOCCCNC(=O)C[C@H](O)C[C@H](O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c1-c1ccc(F)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C41H52FN3O7/c1-29(2)39-38(41(49)44-33-13-8-5-9-14-33)37(30-11-6-4-7-12-30)40(31-15-17-32(42)18-16-31)45(39)21-19-34(46)27-35(47)28-36(48)43-20-10-22-51-25-26-52-24-23-50-3/h4-9,11-18,29,34-35,46-47H,10,19-28H2,1-3H3,(H,43,48)(H,44,49)/t34-,35-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Binding affinity to His6-tagged PDE-delta (unknown origin) measured every 3 mins by fluorescence polarization assay				J Med Chem 57: 5435-48 (2014) Article DOI: 10.1021/jm500632s BindingDB Entry DOI: 10.7270/Q24Q7WJP
					More data for this Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (Homo sapiens (Human))	BDBM50019861 (CHEMBL3286925) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)C[C@H](O)C[C@H](O)CCn3c(C(C)C)c(C(=O)Nc4ccccc4)c(c3-c3ccc(F)cc3)-c3ccccc3)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C53H71FN6O9S/c1-36(2)50-48(52(65)57-40-15-7-4-8-16-40)47(37-13-5-3-6-14-37)51(38-19-21-39(54)22-20-38)60(50)26-23-41(61)33-42(62)34-46(64)56-25-12-28-68-30-32-69-31-29-67-27-11-24-55-45(63)18-10-9-17-44-49-43(35-70-44)58-53(66)59-49/h3-8,13-16,19-22,36,41-44,49,61-62H,9-12,17-18,23-35H2,1-2H3,(H,55,63)(H,56,64)(H,57,65)(H2,58,59,66)/t41-,42-,43+,44+,49+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Binding affinity to His6-tagged PDE-delta (unknown origin) measured every 3 mins by fluorescence polarization assay				J Med Chem 57: 5435-48 (2014) Article DOI: 10.1021/jm500632s BindingDB Entry DOI: 10.7270/Q24Q7WJP
					More data for this Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (Homo sapiens (Human))	BDBM50019862 (CHEMBL3286926) Show SMILES CC(C)c1c(cc(-c2ccccc2)n1CCCn1ccnc1C)-c1nc2ccccc2n1CC1CC1 Show InChI InChI=1S/C31H35N5/c1-22(2)30-26(31-33-27-12-7-8-13-28(27)36(31)21-24-14-15-24)20-29(25-10-5-4-6-11-25)35(30)18-9-17-34-19-16-32-23(34)3/h4-8,10-13,16,19-20,22,24H,9,14-15,17-18,21H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Binding affinity to His6-tagged PDE-delta (unknown origin) measured every 3 mins by fluorescence polarization assay				J Med Chem 57: 5435-48 (2014) Article DOI: 10.1021/jm500632s BindingDB Entry DOI: 10.7270/Q24Q7WJP
					More data for this Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (Homo sapiens (Human))	BDBM50019863 (CHEMBL3286927) Show SMILES CC(C)c1c(cc(-c2ccccc2)n1CCCn1ccnc1C)-c1nc2ccccc2n1CC1CCCC1 Show InChI InChI=1S/C33H39N5/c1-24(2)32-28(33-35-29-16-9-10-17-30(29)38(33)23-26-12-7-8-13-26)22-31(27-14-5-4-6-15-27)37(32)20-11-19-36-21-18-34-25(36)3/h4-6,9-10,14-18,21-22,24,26H,7-8,11-13,19-20,23H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	347	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Binding affinity to His6-tagged PDE-delta (unknown origin) measured every 3 mins by fluorescence polarization assay				J Med Chem 57: 5435-48 (2014) Article DOI: 10.1021/jm500632s BindingDB Entry DOI: 10.7270/Q24Q7WJP
					More data for this Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (Homo sapiens (Human))	BDBM50019864 (CHEMBL3286928) Show SMILES CC(C)c1c(cc(-c2ccccc2)n1CCCn1ccnc1C)-c1nc2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C34H35N5/c1-25(2)33-29(34-36-30-17-10-11-18-31(30)39(34)24-27-13-6-4-7-14-27)23-32(28-15-8-5-9-16-28)38(33)21-12-20-37-22-19-35-26(37)3/h4-11,13-19,22-23,25H,12,20-21,24H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	689	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Binding affinity to His6-tagged PDE-delta (unknown origin) measured every 3 mins by fluorescence polarization assay				J Med Chem 57: 5435-48 (2014) Article DOI: 10.1021/jm500632s BindingDB Entry DOI: 10.7270/Q24Q7WJP
					More data for this Ligand-Target Pair

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