Compile Data Set for Download or QSAR

Found 324 hits with Last Name = 'hrapchak' and Initial = 'm'   

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))	BDBM50121562 (CHEMBL153239 | Morpholine-4-carboxylic acid [1-(1-...) Show SMILES O=C(N[C@@H](CCc1ccccc1)C#N)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 Show InChI InChI=1S/C24H34N4O3/c25-18-21(12-11-19-7-3-1-4-8-19)26-23(29)22(17-20-9-5-2-6-10-20)27-24(30)28-13-15-31-16-14-28/h1,3-4,7-8,20-22H,2,5-6,9-17H2,(H,26,29)(H,27,30)/t21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121542 (CHEMBL155560 | Thiophene-2-carboxylic acid {1-[(be...) Show SMILES O=C(N[C@@H](COCc1ccccc1)C#N)[C@H](CC1CCCCC1)NC(=O)c1cccs1 Show InChI InChI=1S/C24H29N3O3S/c25-15-20(17-30-16-19-10-5-2-6-11-19)26-23(28)21(14-18-8-3-1-4-9-18)27-24(29)22-12-7-13-31-22/h2,5-7,10-13,18,20-21H,1,3-4,8-9,14,16-17H2,(H,26,28)(H,27,29)/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121549 (CHEMBL347111 | Morpholine-4-carboxylic acid {1-[(b...) Show SMILES O=C(N[C@@H](COCc1ccccc1)C#N)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 Show InChI InChI=1S/C24H34N4O4/c25-16-21(18-32-17-20-9-5-2-6-10-20)26-23(29)22(15-19-7-3-1-4-8-19)27-24(30)28-11-13-31-14-12-28/h2,5-6,9-10,19,21-22H,1,3-4,7-8,11-15,17-18H2,(H,26,29)(H,27,30)/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121554 (CHEMBL356155 | N-{1-[(Benzyloxymethyl-cyano-methyl...) Show SMILES O=C(N[C@@H](COCc1ccccc1)C#N)[C@H](CC1CCCCC1)NC(=O)c1ccncc1 Show InChI InChI=1S/C25H30N4O3/c26-16-22(18-32-17-20-9-5-2-6-10-20)28-25(31)23(15-19-7-3-1-4-8-19)29-24(30)21-11-13-27-14-12-21/h2,5-6,9-14,19,22-23H,1,3-4,7-8,15,17-18H2,(H,28,31)(H,29,30)/t22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121575 (CHEMBL356442 | Morpholine-4-carboxylic acid (1-{[c...) Show SMILES Cc1ccccc1COC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1)C#N Show InChI InChI=1S/C25H36N4O4/c1-19-7-5-6-10-21(19)17-33-18-22(16-26)27-24(30)23(15-20-8-3-2-4-9-20)28-25(31)29-11-13-32-14-12-29/h5-7,10,20,22-23H,2-4,8-9,11-15,17-18H2,1H3,(H,27,30)(H,28,31)/t22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50126413 (CHEMBL287478 | N*1*-[7-(4-Morpholin-4-yl-phenyl)-[...) Show SMILES NCCCNc1nc(cc2ncccc12)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C21H25N5O/c22-8-2-10-24-21-18-3-1-9-23-20(18)15-19(25-21)16-4-6-17(7-5-16)26-11-13-27-14-12-26/h1,3-7,9,15H,2,8,10-14,22H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against spleen tyrosine kinase (SYK)				Bioorg Med Chem Lett 13: 1415-8 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZCJ
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121581 (CHEMBL150253 | Morpholine-4-carboxylic acid (1-{[(...) Show SMILES Clc1ccccc1COC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1)C#N Show InChI InChI=1S/C24H33ClN4O4/c25-21-9-5-4-8-19(21)16-33-17-20(15-26)27-23(30)22(14-18-6-2-1-3-7-18)28-24(31)29-10-12-32-13-11-29/h4-5,8-9,18,20,22H,1-3,6-7,10-14,16-17H2,(H,27,30)(H,28,31)/t20-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121569 (CHEMBL153783 | Morpholine-4-carboxylic acid {1-[(b...) Show SMILES CC(C)(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](COCc1ccccc1)C#N Show InChI InChI=1S/C22H32N4O4/c1-22(2,3)13-19(25-21(28)26-9-11-29-12-10-26)20(27)24-18(14-23)16-30-15-17-7-5-4-6-8-17/h4-8,18-19H,9-13,15-16H2,1-3H3,(H,24,27)(H,25,28)/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121561 (CHEMBL356167 | Morpholine-4-carboxylic acid (1-{[(...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](COCc1cccc(Cl)c1)C#N Show InChI InChI=1S/C21H29ClN4O4/c1-15(2)10-19(25-21(28)26-6-8-29-9-7-26)20(27)24-18(12-23)14-30-13-16-4-3-5-17(22)11-16/h3-5,11,15,18-19H,6-10,13-14H2,1-2H3,(H,24,27)(H,25,28)/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121545 (CHEMBL149523 | Morpholine-4-carboxylic acid (1-{[(...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](COCc1ccccc1Cl)C#N Show InChI InChI=1S/C21H29ClN4O4/c1-15(2)11-19(25-21(28)26-7-9-29-10-8-26)20(27)24-17(12-23)14-30-13-16-5-3-4-6-18(16)22/h3-6,15,17,19H,7-11,13-14H2,1-2H3,(H,24,27)(H,25,28)/t17-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121544 (CHEMBL153248 | Pyrazine-2-carboxylic acid {1-[(ben...) Show SMILES O=C(N[C@@H](COCc1ccccc1)C#N)[C@H](CC1CCCCC1)NC(=O)c1cnccn1 Show InChI InChI=1S/C24H29N5O3/c25-14-20(17-32-16-19-9-5-2-6-10-19)28-23(30)21(13-18-7-3-1-4-8-18)29-24(31)22-15-26-11-12-27-22/h2,5-6,9-12,15,18,20-21H,1,3-4,7-8,13,16-17H2,(H,28,30)(H,29,31)/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121543 (CHEMBL435440 | Morpholine-4-carboxylic acid {1-[(c...) Show SMILES O=C(N[C@H](C#N)c1ccccc1)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 Show InChI InChI=1S/C22H30N4O3/c23-16-20(18-9-5-2-6-10-18)24-21(27)19(15-17-7-3-1-4-8-17)25-22(28)26-11-13-29-14-12-26/h2,5-6,9-10,17,19-20H,1,3-4,7-8,11-15H2,(H,24,27)(H,25,28)/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121558 (CHEMBL152940 | Morpholine-4-carboxylic acid (1-{[c...) Show SMILES Cc1ccccc1COC[C@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)N1CCOCC1)C#N Show InChI InChI=1S/C23H34N4O4/c1-17-7-5-6-8-18(17)15-31-16-19(14-24)25-21(28)20(13-23(2,3)4)26-22(29)27-9-11-30-12-10-27/h5-8,19-20H,9-13,15-16H2,1-4H3,(H,25,28)(H,26,29)/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121572 (CHEMBL150358 | Morpholine-4-carboxylic acid {1-[(c...) Show SMILES CC(C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1)C#N Show InChI InChI=1S/C18H30N4O3/c1-18(2,13-19)21-16(23)15(12-14-6-4-3-5-7-14)20-17(24)22-8-10-25-11-9-22/h14-15H,3-12H2,1-2H3,(H,20,24)(H,21,23)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121548 (CHEMBL153813 | MORPHOLINE-4-CARBOXYLIC ACID [1S-(2...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](COCc1ccccc1)C#N Show InChI InChI=1S/C21H30N4O4/c1-16(2)12-19(24-21(27)25-8-10-28-11-9-25)20(26)23-18(13-22)15-29-14-17-6-4-3-5-7-17/h3-7,16,18-19H,8-12,14-15H2,1-2H3,(H,23,26)(H,24,27)/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin S (Homo sapiens (Human))	BDBM50121541 (CHEMBL346448 | Morpholine-4-carboxylic acid (1-{[c...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](COCc1ccccc1C)C#N Show InChI InChI=1S/C22H32N4O4/c1-16(2)12-20(25-22(28)26-8-10-29-11-9-26)21(27)24-19(13-23)15-30-14-18-7-5-4-6-17(18)3/h4-7,16,19-20H,8-12,14-15H2,1-3H3,(H,24,27)(H,25,28)/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50126419 (CHEMBL282342 | N*1*-[7-(4-Dimethylamino-phenyl)-[1...) Show SMILES CN(C)c1ccc(cc1)-c1cc2ncccc2c(NCCCCN)n1 Show InChI InChI=1S/C20H25N5/c1-25(2)16-9-7-15(8-10-16)18-14-19-17(6-5-13-22-19)20(24-18)23-12-4-3-11-21/h5-10,13-14H,3-4,11-12,21H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against spleen tyrosine kinase (SYK)				Bioorg Med Chem Lett 13: 1415-8 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZCJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50126408 (CHEMBL30381 | N*1*-[7-(4-Diethylamino-phenyl)-[1,6...) Show SMILES CCN(CC)c1ccc(cc1)-c1cc2ncccc2c(NCCCN)n1 Show InChI InChI=1S/C21H27N5/c1-3-26(4-2)17-10-8-16(9-11-17)19-15-20-18(7-5-13-23-20)21(25-19)24-14-6-12-22/h5,7-11,13,15H,3-4,6,12,14,22H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against spleen tyrosine kinase (SYK)				Bioorg Med Chem Lett 13: 1415-8 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZCJ
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121576 (CHEMBL153018 | Furan-2-carboxylic acid {1-[(benzyl...) Show SMILES O=C(N[C@@H](COCc1ccccc1)C#N)[C@H](CC1CCCCC1)NC(=O)c1ccco1 Show InChI InChI=1S/C24H29N3O4/c25-15-20(17-30-16-19-10-5-2-6-11-19)26-23(28)21(14-18-8-3-1-4-9-18)27-24(29)22-12-7-13-31-22/h2,5-7,10-13,18,20-21H,1,3-4,8-9,14,16-17H2,(H,26,28)(H,27,29)/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121570 (CHEMBL348679 | Morpholine-4-carboxylic acid [1-(1-...) Show SMILES CC(C)(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C#N Show InChI InChI=1S/C22H32N4O3/c1-22(2,3)15-19(25-21(28)26-11-13-29-14-12-26)20(27)24-18(16-23)10-9-17-7-5-4-6-8-17/h4-8,18-19H,9-15H2,1-3H3,(H,24,27)(H,25,28)/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121557 (CHEMBL151642 | Morpholine-4-carboxylic acid (1-{[(...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](COCc1ccc(Cl)cc1)C#N Show InChI InChI=1S/C21H29ClN4O4/c1-15(2)11-19(25-21(28)26-7-9-29-10-8-26)20(27)24-18(12-23)14-30-13-16-3-5-17(22)6-4-16/h3-6,15,18-19H,7-11,13-14H2,1-2H3,(H,24,27)(H,25,28)/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50126443 (CHEMBL30678 | N*1*-[7-(4-Dimethylamino-phenyl)-[1,...) Show SMILES CN(C)c1ccc(cc1)-c1cc2ncccc2c(NCCCN)n1 Show InChI InChI=1S/C19H23N5/c1-24(2)15-8-6-14(7-9-15)17-13-18-16(5-3-11-21-18)19(23-17)22-12-4-10-20/h3,5-9,11,13H,4,10,12,20H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against spleen tyrosine kinase (SYK)				Bioorg Med Chem Lett 13: 1415-8 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZCJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50126430 (CHEMBL284590 | N*1*-[7-(4-Methylsulfanyl-phenyl)-[...) Show SMILES CSc1ccc(cc1)-c1cc2ncccc2c(NCCCN)n1 Show InChI InChI=1S/C18H20N4S/c1-23-14-7-5-13(6-8-14)16-12-17-15(4-2-10-20-17)18(22-16)21-11-3-9-19/h2,4-8,10,12H,3,9,11,19H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against spleen tyrosine kinase (SYK)				Bioorg Med Chem Lett 13: 1415-8 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZCJ
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50302163 (3-amino-6-(4-aminopiperidin-1-yl)-4-propylthieno[2...) Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(N)CC1 Show InChI InChI=1S/C16H23N5OS/c1-2-3-9-8-11(21-6-4-10(17)5-7-21)20-16-12(9)13(18)14(23-16)15(19)22/h8,10H,2-7,17-18H2,1H3,(H2,19,22)	PDB NCI pathway 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	41	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay				Bioorg Med Chem Lett 19: 5547-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121551 (CHEMBL150574 | Morpholine-4-carboxylic acid [1-(1-...) Show SMILES CCCC[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C#N Show InChI InChI=1S/C21H30N4O3/c1-2-3-9-19(24-21(27)25-12-14-28-15-13-25)20(26)23-18(16-22)11-10-17-7-5-4-6-8-17/h4-8,18-19H,2-3,9-15H2,1H3,(H,23,26)(H,24,27)/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50302174 (3-amino-6-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-4...) Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(O)C(C)(C)C1 Show InChI InChI=1S/C18H26N4O2S/c1-4-5-10-8-12(22-7-6-11(23)18(2,3)9-22)21-17-13(10)14(19)15(25-17)16(20)24/h8,11,23H,4-7,9,19H2,1-3H3,(H2,20,24)	PDB NCI pathway 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	42	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay				Bioorg Med Chem Lett 19: 5547-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50126428 (1-Amino-3-[7-(4-dimethylamino-phenyl)-[1,6]naphthy...) Show SMILES CN(C)c1ccc(cc1)-c1cc2ncccc2c(NCC(O)CN)n1 Show InChI InChI=1S/C19H23N5O/c1-24(2)14-7-5-13(6-8-14)17-10-18-16(4-3-9-21-18)19(23-17)22-12-15(25)11-20/h3-10,15,25H,11-12,20H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against spleen tyrosine kinase (SYK)				Bioorg Med Chem Lett 13: 1415-8 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZCJ
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121564 (CHEMBL153678 | Morpholine-4-carboxylic acid [1-(1-...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C#N Show InChI InChI=1S/C21H30N4O3/c1-16(2)14-19(24-21(27)25-10-12-28-13-11-25)20(26)23-18(15-22)9-8-17-6-4-3-5-7-17/h3-7,16,18-19H,8-14H2,1-2H3,(H,23,26)(H,24,27)/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121546 (CHEMBL347745 | Morpholine-4-carboxylic acid {1-[(c...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C#N)c1ccccc1 Show InChI InChI=1S/C19H26N4O3/c1-14(2)12-16(22-19(25)23-8-10-26-11-9-23)18(24)21-17(13-20)15-6-4-3-5-7-15/h3-7,14,16-17H,8-12H2,1-2H3,(H,21,24)(H,22,25)/t16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121578 (CHEMBL435245 | Morpholine-4-carboxylic acid [1-(1-...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1)C#N Show InChI InChI=1S/C17H30N4O3/c1-4-5-6-14(12-18)19-16(22)15(11-13(2)3)20-17(23)21-7-9-24-10-8-21/h13-15H,4-11H2,1-3H3,(H,19,22)(H,20,23)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121566 (CHEMBL153319 | Morpholine-4-carboxylic acid (1-{[c...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C20H26Cl2N4O3/c1-13(2)9-18(25-20(28)26-5-7-29-8-6-26)19(27)24-15(12-23)10-14-3-4-16(21)17(22)11-14/h3-4,11,13,15,18H,5-10H2,1-2H3,(H,24,27)(H,25,28)/t15-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50126434 (CHEMBL33466 | N*1*-(7-p-Tolyl-[1,6]naphthyridin-5-...) Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c(NCCCN)n1 Show InChI InChI=1S/C18H20N4/c1-13-5-7-14(8-6-13)16-12-17-15(4-2-10-20-17)18(22-16)21-11-3-9-19/h2,4-8,10,12H,3,9,11,19H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against spleen tyrosine kinase (SYK)				Bioorg Med Chem Lett 13: 1415-8 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZCJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50126405 (CHEMBL285889 | N*1*-(7-{4-[(2-Dimethylamino-ethyl)...) Show SMILES CN(C)CCN(C)c1ccc(cc1)-c1cc2ncccc2c(NCCCN)n1 Show InChI InChI=1S/C22H30N6/c1-27(2)14-15-28(3)18-9-7-17(8-10-18)20-16-21-19(6-4-12-24-21)22(26-20)25-13-5-11-23/h4,6-10,12,16H,5,11,13-15,23H2,1-3H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against spleen tyrosine kinase (SYK)				Bioorg Med Chem Lett 13: 1415-8 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZCJ
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50302169 (3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b...) Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCCNCC1 Show InChI InChI=1S/C16H23N5OS/c1-2-4-10-9-11(21-7-3-5-19-6-8-21)20-16-12(10)13(17)14(23-16)15(18)22/h9,19H,2-8,17H2,1H3,(H2,18,22)	PDB NCI pathway 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	72	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay				Bioorg Med Chem Lett 19: 5547-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50126410 (CHEMBL30548 | N*1*-[7-(4-Dimethylamino-phenyl)-[1,...) Show SMILES CN(C)c1ccc(cc1)-c1cc2ncccc2c(n1)N(C)CCCN Show InChI InChI=1S/C20H25N5/c1-24(2)16-9-7-15(8-10-16)18-14-19-17(6-4-12-22-19)20(23-18)25(3)13-5-11-21/h4,6-10,12,14H,5,11,13,21H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against spleen tyrosine kinase (SYK)				Bioorg Med Chem Lett 13: 1415-8 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZCJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50126440 (CHEMBL30824 | N-[7-(4-Dimethylamino-phenyl)-[1,6]n...) Show SMILES CNCCCNc1nc(cc2ncccc12)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C20H25N5/c1-21-11-5-13-23-20-17-6-4-12-22-19(17)14-18(24-20)15-7-9-16(10-8-15)25(2)3/h4,6-10,12,14,21H,5,11,13H2,1-3H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against spleen tyrosine kinase (SYK)				Bioorg Med Chem Lett 13: 1415-8 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZCJ
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121550 (CHEMBL153166 | Morpholine-4-carboxylic acid [1-(1-...) Show SMILES CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1)C#N Show InChI InChI=1S/C16H28N4O3/c1-4-5-13(11-17)18-15(21)14(10-12(2)3)19-16(22)20-6-8-23-9-7-20/h12-14H,4-10H2,1-3H3,(H,18,21)(H,19,22)/t13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121560 (CHEMBL345502 | Morpholine-4-carboxylic acid [(1-cy...) Show SMILES O=C(N[C@@H](CCc1ccccc1)C#N)[C@@H](NC(=O)N1CCOCC1)C1CCCCC1 Show InChI InChI=1S/C23H32N4O3/c24-17-20(12-11-18-7-3-1-4-8-18)25-22(28)21(19-9-5-2-6-10-19)26-23(29)27-13-15-30-16-14-27/h1,3-4,7-8,19-21H,2,5-6,9-16H2,(H,25,28)(H,26,29)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50126400 (CHEMBL30873 | N*1*-[7-(4-Isopropyl-phenyl)-[1,6]na...) Show SMILES CC(C)c1ccc(cc1)-c1cc2ncccc2c(NCCCN)n1 Show InChI InChI=1S/C20H24N4/c1-14(2)15-6-8-16(9-7-15)18-13-19-17(5-3-11-22-19)20(24-18)23-12-4-10-21/h3,5-9,11,13-14H,4,10,12,21H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against spleen tyrosine kinase (SYK)				Bioorg Med Chem Lett 13: 1415-8 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZCJ
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50302163 (3-amino-6-(4-aminopiperidin-1-yl)-4-propylthieno[2...) Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(N)CC1 Show InChI InChI=1S/C16H23N5OS/c1-2-3-9-8-11(21-6-4-10(17)5-7-21)20-16-12(9)13(18)14(23-16)15(19)22/h8,10H,2-7,17-18H2,1H3,(H2,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKKalpha				Bioorg Med Chem Lett 19: 5547-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50302175 (3-amino-6-(4-(methylsulfonamido)piperidin-1-yl)-4-...) Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(CC1)NS(C)(=O)=O Show InChI InChI=1S/C17H25N5O3S2/c1-3-4-10-9-12(20-17-13(10)14(18)15(26-17)16(19)23)22-7-5-11(6-8-22)21-27(2,24)25/h9,11,21H,3-8,18H2,1-2H3,(H2,19,23)	PDB NCI pathway 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	98	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay				Bioorg Med Chem Lett 19: 5547-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121565 (CHEMBL345267 | Morpholine-4-carboxylic acid {1-[(c...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NC(C)(C)C#N Show InChI InChI=1S/C15H26N4O3/c1-11(2)9-12(13(20)18-15(3,4)10-16)17-14(21)19-5-7-22-8-6-19/h11-12H,5-9H2,1-4H3,(H,17,21)(H,18,20)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50126438 (CHEMBL33626 | N*1*-[3-Bromo-7-(4-methoxy-phenyl)-[...) Show SMILES COc1ccc(cc1)-c1cc2ncc(Br)cc2c(NCCCN)n1 Show InChI InChI=1S/C18H19BrN4O/c1-24-14-5-3-12(4-6-14)16-10-17-15(9-13(19)11-22-17)18(23-16)21-8-2-7-20/h3-6,9-11H,2,7-8,20H2,1H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against spleen tyrosine kinase (SYK)				Bioorg Med Chem Lett 13: 1415-8 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZCJ
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50302182 (3-amino-6-(4-(methylamino)piperidin-1-yl)-4-propyl...) Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(CC1)NC Show InChI InChI=1S/C17H25N5OS/c1-3-4-10-9-12(22-7-5-11(20-2)6-8-22)21-17-13(10)14(18)15(24-17)16(19)23/h9,11,20H,3-8,18H2,1-2H3,(H2,19,23)	PDB NCI pathway 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
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay				Bioorg Med Chem Lett 19: 5547-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50302164 (3-amino-6-(piperazin-1-yl)-4-propylthieno[2,3-b]py...) Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCNCC1 Show InChI InChI=1S/C15H21N5OS/c1-2-3-9-8-10(20-6-4-18-5-7-20)19-15-11(9)12(16)13(22-15)14(17)21/h8,18H,2-7,16H2,1H3,(H2,17,21)	PDB NCI pathway 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
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay				Bioorg Med Chem Lett 19: 5547-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121574 (CHEMBL153370 | Morpholine-4-carboxylic acid [1-(cy...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NCC#N Show InChI InChI=1S/C13H22N4O3/c1-10(2)9-11(12(18)15-4-3-14)16-13(19)17-5-7-20-8-6-17/h10-11H,4-9H2,1-2H3,(H,15,18)(H,16,19)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121547 (CHEMBL154808 | Morpholine-4-carboxylic acid {1-[(b...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C#N Show InChI InChI=1S/C20H28N4O3/c1-15(2)12-18(23-20(26)24-8-10-27-11-9-24)19(25)22-17(14-21)13-16-6-4-3-5-7-16/h3-7,15,17-18H,8-13H2,1-2H3,(H,22,25)(H,23,26)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50126411 (CHEMBL284675 | N*1*-[7-(4-Methoxy-phenyl)-[1,6]nap...) Show SMILES COc1ccc(cc1)-c1cc2ncccc2c(NCCCN)n1 Show InChI InChI=1S/C18H20N4O/c1-23-14-7-5-13(6-8-14)16-12-17-15(4-2-10-20-17)18(22-16)21-11-3-9-19/h2,4-8,10,12H,3,9,11,19H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against spleen tyrosine kinase (SYK)				Bioorg Med Chem Lett 13: 1415-8 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZCJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50126429 (CHEMBL281696 | N*1*-(7-Phenyl-[1,6]naphthyridin-5-...) Show SMILES NCCCNc1nc(cc2ncccc12)-c1ccccc1 Show InChI InChI=1S/C17H18N4/c18-9-5-11-20-17-14-8-4-10-19-16(14)12-15(21-17)13-6-2-1-3-7-13/h1-4,6-8,10,12H,5,9,11,18H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against spleen tyrosine kinase (SYK)				Bioorg Med Chem Lett 13: 1415-8 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZCJ
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50302167 (3-amino-6-(3-oxo-1,4-diazepan-1-yl)-4-propylthieno...) Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCCNC(=O)C1 Show InChI InChI=1S/C16H21N5O2S/c1-2-4-9-7-10(21-6-3-5-19-11(22)8-21)20-16-12(9)13(17)14(24-16)15(18)23/h7H,2-6,8,17H2,1H3,(H2,18,23)(H,19,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay				Bioorg Med Chem Lett 19: 5547-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1
					More data for this Ligand-Target Pair

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