Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'almond' and Initial = 'hj'   

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
Cathepsin S (Homo sapiens (Human))	BDBM50152984 (1-(4-Phenyl-piperazin-1-yl)-3-(3-phenyl-4,5,6,7-te...) Show SMILES OC(CN1CCN(CC1)c1ccccc1)Cn1nc(c2CNCCc12)-c1ccccc1 Show InChI InChI=1S/C25H31N5O/c31-22(18-28-13-15-29(16-14-28)21-9-5-2-6-10-21)19-30-24-11-12-26-17-23(24)25(27-30)20-7-3-1-4-8-20/h1-10,22,26,31H,11-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against human cysteine protease cathepsin S				J Med Chem 47: 4799-801 (2004) Article DOI: 10.1021/jm0496133 BindingDB Entry DOI: 10.7270/Q28P6008
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50152989 (3-(5-carbamoyl-3-(4-iodophenyl)-4,5,6,7-tetrahydro...) Show SMILES NC(=O)OC(CN1CCN(CC1)c1ccccc1C#N)Cn1nc(c2CN(CCc12)C(N)=O)-c1ccc(I)cc1 Show InChI InChI=1S/C28H31IN8O3/c29-21-7-5-19(6-8-21)26-23-18-36(27(31)38)10-9-25(23)37(33-26)17-22(40-28(32)39)16-34-11-13-35(14-12-34)24-4-2-1-3-20(24)15-30/h1-8,22H,9-14,16-18H2,(H2,31,38)(H2,32,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against human cysteine protease cathepsin S				J Med Chem 47: 4799-801 (2004) Article DOI: 10.1021/jm0496133 BindingDB Entry DOI: 10.7270/Q28P6008
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50152985 (1-{3-[4-(2-Cyano-phenyl)-piperazin-1-yl]-2-hydroxy...) Show SMILES NC(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCN(CC1)c1ccccc1C#N)-c1ccc(I)cc1 Show InChI InChI=1S/C27H30IN7O2/c28-21-7-5-19(6-8-21)26-23-18-34(27(30)37)10-9-25(23)35(31-26)17-22(36)16-32-11-13-33(14-12-32)24-4-2-1-3-20(24)15-29/h1-8,22,36H,9-14,16-18H2,(H2,30,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against human cysteine protease cathepsin S				J Med Chem 47: 4799-801 (2004) Article DOI: 10.1021/jm0496133 BindingDB Entry DOI: 10.7270/Q28P6008
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50152988 (2-(4-{3-[5-Acetyl-3-(4-iodo-phenyl)-4,5,6,7-tetrah...) Show SMILES CC(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCN(CC1)c1ccccc1C#N)-c1ccc(I)cc1 Show InChI InChI=1S/C28H31IN6O2/c1-20(36)34-11-10-27-25(19-34)28(21-6-8-23(29)9-7-21)31-35(27)18-24(37)17-32-12-14-33(15-13-32)26-5-3-2-4-22(26)16-30/h2-9,24,37H,10-15,17-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against human cysteine protease cathepsin S				J Med Chem 47: 4799-801 (2004) Article DOI: 10.1021/jm0496133 BindingDB Entry DOI: 10.7270/Q28P6008
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50152990 (1-[1-{2-Hydroxy-3-[4-(2-methoxy-phenyl)-piperazin-...) Show SMILES COc1ccccc1N1CCN(CC(O)Cn2nc(c3CN(CCc23)C(C)=O)-c2ccc(I)cc2)CC1 Show InChI InChI=1S/C28H34IN5O3/c1-20(35)33-12-11-25-24(19-33)28(21-7-9-22(29)10-8-21)30-34(25)18-23(36)17-31-13-15-32(16-14-31)26-5-3-4-6-27(26)37-2/h3-10,23,36H,11-19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against human cysteine protease cathepsin S				J Med Chem 47: 4799-801 (2004) Article DOI: 10.1021/jm0496133 BindingDB Entry DOI: 10.7270/Q28P6008
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50152986 (1-(3-(4-Chloro-phenyl)-1-{3-[4-(2-chloro-phenyl)-p...) Show SMILES CC(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCN(CC1)c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H31Cl2N5O2/c1-19(35)33-11-10-25-23(18-33)27(20-6-8-21(28)9-7-20)30-34(25)17-22(36)16-31-12-14-32(15-13-31)26-5-3-2-4-24(26)29/h2-9,22,36H,10-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against human cysteine protease cathepsin S				J Med Chem 47: 4799-801 (2004) Article DOI: 10.1021/jm0496133 BindingDB Entry DOI: 10.7270/Q28P6008
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50152992 (1-[1-(3-{4-[Bis-(4-fluoro-phenyl)-methyl]-piperazi...) Show SMILES CC(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C34H36ClF2N5O2/c1-23(43)41-15-14-32-31(22-41)33(24-2-8-27(35)9-3-24)38-42(32)21-30(44)20-39-16-18-40(19-17-39)34(25-4-10-28(36)11-5-25)26-6-12-29(37)13-7-26/h2-13,30,34,44H,14-22H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against human cysteine protease cathepsin S				J Med Chem 47: 4799-801 (2004) Article DOI: 10.1021/jm0496133 BindingDB Entry DOI: 10.7270/Q28P6008
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50152991 (1-(3-(4-Chloro-phenyl)-1-{2-hydroxy-3-[4-(2-methox...) Show SMILES COc1ccccc1N1CCN(CC(O)Cn2nc(c3CN(CCc23)C(C)=O)-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C28H34ClN5O3/c1-20(35)33-12-11-25-24(19-33)28(21-7-9-22(29)10-8-21)30-34(25)18-23(36)17-31-13-15-32(16-14-31)26-5-3-4-6-27(26)37-2/h3-10,23,36H,11-19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against human cysteine protease cathepsin S				J Med Chem 47: 4799-801 (2004) Article DOI: 10.1021/jm0496133 BindingDB Entry DOI: 10.7270/Q28P6008
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50152987 (1-(3-(4-Chloro-phenyl)-1-{4-[4-(2-methoxy-phenyl)-...) Show SMILES COc1ccccc1N1CCN(CCCCn2nc(c3CN(CCc23)C(C)=O)-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C29H36ClN5O2/c1-22(36)34-16-13-26-25(21-34)29(23-9-11-24(30)12-10-23)31-35(26)15-6-5-14-32-17-19-33(20-18-32)27-7-3-4-8-28(27)37-2/h3-4,7-12H,5-6,13-21H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against human cysteine protease cathepsin S				J Med Chem 47: 4799-801 (2004) Article DOI: 10.1021/jm0496133 BindingDB Entry DOI: 10.7270/Q28P6008
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50152983 (1-[2-Hydroxy-3-(4-o-tolyl-piperazin-1-yl)-propyl]-...) Show SMILES Cc1ccccc1N1CCN(CC(O)Cn2nc(c3CN(CCc23)C(N)=O)-c2ccc(I)cc2)CC1 Show InChI InChI=1S/C27H33IN6O2/c1-19-4-2-3-5-24(19)32-14-12-31(13-15-32)16-22(35)17-34-25-10-11-33(27(29)36)18-23(25)26(30-34)20-6-8-21(28)9-7-20/h2-9,22,35H,10-18H2,1H3,(H2,29,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against human cysteine protease cathepsin S				J Med Chem 47: 4799-801 (2004) Article DOI: 10.1021/jm0496133 BindingDB Entry DOI: 10.7270/Q28P6008
					More data for this Ligand-Target Pair