Compile Data Set for Download or QSAR

Found 39 hits with Last Name = 'dupuy' and Initial = 'a'   

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
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167517 (CHEMBL191546 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES COCCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2cccc(C)c12 Show InChI InChI=1S/C25H31N3O2/c1-18-5-3-8-22-23(17-28(24(18)22)13-14-30-2)25(29)27-11-9-20(10-12-27)21-7-4-6-19(15-21)16-26/h3-8,15,17,20H,9-14,16,26H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167534 (CHEMBL370284 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES CCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2cccc(C)c12 Show InChI InChI=1S/C24H29N3O/c1-3-26-16-22(21-9-4-6-17(2)23(21)26)24(28)27-12-10-19(11-13-27)20-8-5-7-18(14-20)15-25/h4-9,14,16,19H,3,10-13,15,25H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167531 (CHEMBL365527 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES CCCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2cccc(C)c12 Show InChI InChI=1S/C25H31N3O/c1-3-12-28-17-23(22-9-4-6-18(2)24(22)28)25(29)27-13-10-20(11-14-27)21-8-5-7-19(15-21)16-26/h4-9,15,17,20H,3,10-14,16,26H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167524 (CHEMBL192963 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES CCCCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2ccccc12 Show InChI InChI=1S/C25H31N3O/c1-2-3-13-28-18-23(22-9-4-5-10-24(22)28)25(29)27-14-11-20(12-15-27)21-8-6-7-19(16-21)17-26/h4-10,16,18,20H,2-3,11-15,17,26H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167525 (CHEMBL193514 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES COCCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2ccccc12 Show InChI InChI=1S/C24H29N3O2/c1-29-14-13-27-17-22(21-7-2-3-8-23(21)27)24(28)26-11-9-19(10-12-26)20-6-4-5-18(15-20)16-25/h2-8,15,17,19H,9-14,16,25H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167530 (CHEMBL189101 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES Cc1cccc2c(c[nH]c12)C(=O)N1CCC(CC1)c1cccc(CN)c1 Show InChI InChI=1S/C22H25N3O/c1-15-4-2-7-19-20(14-24-21(15)19)22(26)25-10-8-17(9-11-25)18-6-3-5-16(12-18)13-23/h2-7,12,14,17,24H,8-11,13,23H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167514 (CHEMBL370463 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES CCCCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2cccc(C)c12 Show InChI InChI=1S/C26H33N3O/c1-3-4-13-29-18-24(23-10-5-7-19(2)25(23)29)26(30)28-14-11-21(12-15-28)22-9-6-8-20(16-22)17-27/h5-10,16,18,21H,3-4,11-15,17,27H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity of compound towards Factor Xa				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167520 (CHEMBL365148 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES Cc1ccc2[nH]cc(C(=O)N3CCC(CC3)c3cccc(CN)c3)c2c1 Show InChI InChI=1S/C22H25N3O/c1-15-5-6-21-19(11-15)20(14-24-21)22(26)25-9-7-17(8-10-25)18-4-2-3-16(12-18)13-23/h2-6,11-12,14,17,24H,7-10,13,23H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167526 (CHEMBL365189 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES CC(C)Cn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2ccccc12 Show InChI InChI=1S/C25H31N3O/c1-18(2)16-28-17-23(22-8-3-4-9-24(22)28)25(29)27-12-10-20(11-13-27)21-7-5-6-19(14-21)15-26/h3-9,14,17-18,20H,10-13,15-16,26H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167522 (CHEMBL372028 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES CCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2ccccc12 Show InChI InChI=1S/C23H27N3O/c1-2-25-16-21(20-8-3-4-9-22(20)25)23(27)26-12-10-18(11-13-26)19-7-5-6-17(14-19)15-24/h3-9,14,16,18H,2,10-13,15,24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167521 (CHEMBL364661 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES CCCCCCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2ccccc12 Show InChI InChI=1S/C27H35N3O/c1-2-3-4-7-15-30-20-25(24-11-5-6-12-26(24)30)27(31)29-16-13-22(14-17-29)23-10-8-9-21(18-23)19-28/h5-6,8-12,18,20,22H,2-4,7,13-17,19,28H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167511 (CHEMBL189531 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C27H27N3O3S/c28-18-20-7-6-8-22(17-20)21-13-15-29(16-14-21)27(31)25-19-30(26-12-5-4-11-24(25)26)34(32,33)23-9-2-1-3-10-23/h1-12,17,19,21H,13-16,18,28H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	128	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM16127 (2,2 -methanediylbis(1H-benzimidazole-6-carboximida...) Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1 Show InChI InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167523 (CHEMBL190103 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1cn(CC2CC2)c2ccccc12 Show InChI InChI=1S/C25H29N3O/c26-15-19-4-3-5-21(14-19)20-10-12-27(13-11-20)25(29)23-17-28(16-18-8-9-18)24-7-2-1-6-22(23)24/h1-7,14,17-18,20H,8-13,15-16,26H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167535 (CHEMBL191007 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES Cn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2ccccc12 Show InChI InChI=1S/C22H25N3O/c1-24-15-20(19-7-2-3-8-21(19)24)22(26)25-11-9-17(10-12-25)18-6-4-5-16(13-18)14-23/h2-8,13,15,17H,9-12,14,23H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167533 (CHEMBL435694 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES CS(=O)(=O)n1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2ccccc12 Show InChI InChI=1S/C22H25N3O3S/c1-29(27,28)25-15-20(19-7-2-3-8-21(19)25)22(26)24-11-9-17(10-12-24)18-6-4-5-16(13-18)14-23/h2-8,13,15,17H,9-12,14,23H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	162	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167510 (CHEMBL361040 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES CCCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2ccccc12 Show InChI InChI=1S/C24H29N3O/c1-2-12-27-17-22(21-8-3-4-9-23(21)27)24(28)26-13-10-19(11-14-26)20-7-5-6-18(15-20)16-25/h3-9,15,17,19H,2,10-14,16,25H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	185	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167529 (CHEMBL372912 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1cn(-c2cccnc2)c2ccccc12 Show InChI InChI=1S/C26H26N4O/c27-16-19-5-3-6-21(15-19)20-10-13-29(14-11-20)26(31)24-18-30(22-7-4-12-28-17-22)25-9-2-1-8-23(24)25/h1-9,12,15,17-18,20H,10-11,13-14,16,27H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	197	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167515 (1-{3-[4-(3-Aminomethyl-phenyl)-piperidine-1-carbon...) Show SMILES CC(=O)n1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2ccccc12 Show InChI InChI=1S/C23H25N3O2/c1-16(27)26-15-21(20-7-2-3-8-22(20)26)23(28)25-11-9-18(10-12-25)19-6-4-5-17(13-19)14-24/h2-8,13,15,18H,9-12,14,24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167513 (CHEMBL192214 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1cn(C(=O)c2cccs2)c2ccccc12 Show InChI InChI=1S/C26H25N3O2S/c27-16-18-5-3-6-20(15-18)19-10-12-28(13-11-19)25(30)22-17-29(23-8-2-1-7-21(22)23)26(31)24-9-4-14-32-24/h1-9,14-15,17,19H,10-13,16,27H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	246	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167528 (CHEMBL436537 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C21H23N3O/c22-13-15-4-3-5-17(12-15)16-8-10-24(11-9-16)21(25)19-14-23-20-7-2-1-6-18(19)20/h1-7,12,14,16,23H,8-11,13,22H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167519 (CHEMBL190135 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES CC(C)n1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2ccccc12 Show InChI InChI=1S/C24H29N3O/c1-17(2)27-16-22(21-8-3-4-9-23(21)27)24(28)26-12-10-19(11-13-26)20-7-5-6-18(14-20)15-25/h3-9,14,16-17,19H,10-13,15,25H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167527 (CHEMBL189983 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1c[nH]c2c(F)cccc12 Show InChI InChI=1S/C21H22FN3O/c22-19-6-2-5-17-18(13-24-20(17)19)21(26)25-9-7-15(8-10-25)16-4-1-3-14(11-16)12-23/h1-6,11,13,15,24H,7-10,12,23H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	368	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167518 (CHEMBL189372 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1cn(-c2nccs2)c2ccccc12 Show InChI InChI=1S/C24H24N4OS/c25-15-17-4-3-5-19(14-17)18-8-11-27(12-9-18)23(29)21-16-28(24-26-10-13-30-24)22-7-2-1-6-20(21)22/h1-7,10,13-14,16,18H,8-9,11-12,15,25H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	373	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167516 (CHEMBL191731 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1cn(CC2CCCCC2)c2ccccc12 Show InChI InChI=1S/C28H35N3O/c29-18-22-9-6-10-24(17-22)23-13-15-30(16-14-23)28(32)26-20-31(19-21-7-2-1-3-8-21)27-12-5-4-11-25(26)27/h4-6,9-12,17,20-21,23H,1-3,7-8,13-16,18-19,29H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	497	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167512 (CHEMBL188104 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES Cc1ccc2c(c[nH]c2c1)C(=O)N1CCC(CC1)c1cccc(CN)c1 Show InChI InChI=1S/C22H25N3O/c1-15-5-6-19-20(14-24-21(19)11-15)22(26)25-9-7-17(8-10-25)18-4-2-3-16(12-18)13-23/h2-6,11-12,14,17,24H,7-10,13,23H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167532 (CHEMBL191072 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES Cc1cccc2[nH]cc(C(=O)N3CCC(CC3)c3cccc(CN)c3)c12 Show InChI InChI=1S/C22H25N3O/c1-15-4-2-7-20-21(15)19(14-24-20)22(26)25-10-8-17(9-11-25)18-6-3-5-16(12-18)13-23/h2-7,12,14,17,24H,8-11,13,23H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against tryptase				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50357454 (CHEMBL1917878) Show SMILES O=C(N[C@@H]1c2ccccc2-c2c1cccc2-c1nc2ccncc2[nH]1)c1ccnc2[nH]ccc12 |r| Show InChI InChI=1S/C27H18N6O/c34-27(18-9-13-30-25-17(18)8-12-29-25)33-24-16-5-2-1-4-15(16)23-19(24)6-3-7-20(23)26-31-21-10-11-28-14-22(21)32-26/h1-14,24H,(H,29,30)(H,31,32)(H,33,34)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Research and Development Curated by ChEMBL					Assay Description Inhibition of HSP90beta in human SKBR3 cells assessed as down regulation of HER2 expression levels after 24 hrs by FACS analysis				J Med Chem 54: 7206-19 (2011) Article DOI: 10.1021/jm200784m BindingDB Entry DOI: 10.7270/Q2QR4XH4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167514 (CHEMBL370463 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES CCCCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2cccc(C)c12 Show InChI InChI=1S/C26H33N3O/c1-3-4-13-29-18-24(23-10-5-7-19(2)25(23)29)26(30)28-14-11-21(12-15-28)22-9-6-8-20(16-22)17-27/h5-10,16,18,21H,3-4,11-15,17,27H2,1-2H3	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	68	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against Factor Xa				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50357460 (CHEMBL1917729) Show SMILES Nc1cc(ccn1)C(=O)NC1c2ccccc2-c2c1cccc2-c1nc2ccncc2[nH]1 Show InChI InChI=1S/C25H18N6O/c26-21-12-14(8-11-28-21)25(32)31-23-16-5-2-1-4-15(16)22-17(23)6-3-7-18(22)24-29-19-9-10-27-13-20(19)30-24/h1-13,23H,(H2,26,28)(H,29,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Research and Development Curated by ChEMBL					Assay Description Inhibition of HSP90beta in human SKBR3 cells assessed as down regulation of HER2 expression levels after 24 hrs by FACS analysis				J Med Chem 54: 7206-19 (2011) Article DOI: 10.1021/jm200784m BindingDB Entry DOI: 10.7270/Q2QR4XH4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50357459 (CHEMBL1917728) Show SMILES O=C(NC1c2ccccc2-c2c1cccc2-c1nc2ccccc2[nH]1)c1cccc2ncccc12 Show InChI InChI=1S/C30H20N4O/c35-30(21-10-6-16-24-18(21)13-7-17-31-24)34-28-20-9-2-1-8-19(20)27-22(28)11-5-12-23(27)29-32-25-14-3-4-15-26(25)33-29/h1-17,28H,(H,32,33)(H,34,35)	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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Research and Development Curated by ChEMBL					Assay Description Inhibition of HSP90beta in human SKBR3 cells assessed as down regulation of HER2 expression levels after 24 hrs by FACS analysis				J Med Chem 54: 7206-19 (2011) Article DOI: 10.1021/jm200784m BindingDB Entry DOI: 10.7270/Q2QR4XH4
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50357458 (CHEMBL1917727) Show SMILES O=C(NC1c2ccccc2-c2c1cccc2-c1nc2ccncc2[nH]1)c1ccncc1 Show InChI InChI=1S/C25H17N5O/c31-25(15-8-11-26-12-9-15)30-23-17-5-2-1-4-16(17)22-18(23)6-3-7-19(22)24-28-20-10-13-27-14-21(20)29-24/h1-14,23H,(H,28,29)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Research and Development Curated by ChEMBL					Assay Description Inhibition of HSP90beta in human SKBR3 cells assessed as down regulation of HER2 expression levels after 24 hrs by FACS analysis				J Med Chem 54: 7206-19 (2011) Article DOI: 10.1021/jm200784m BindingDB Entry DOI: 10.7270/Q2QR4XH4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tryptase beta-2 (Homo sapiens (Human))	BDBM50167514 (CHEMBL370463 | [4-(3-Aminomethyl-phenyl)-piperidin...) Show SMILES CCCCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2cccc(C)c12 Show InChI InChI=1S/C26H33N3O/c1-3-4-13-29-18-24(23-10-5-7-19(2)25(23)29)26(30)28-14-11-21(12-15-28)22-9-6-8-20(16-22)17-27/h5-10,16,18,21H,3-4,11-15,17,27H2,1-2H3	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	3.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against alpha tryptase was determined				Bioorg Med Chem Lett 15: 2734-7 (2005) Article DOI: 10.1016/j.bmcl.2005.04.002 BindingDB Entry DOI: 10.7270/Q2V987K1
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50357461 (CHEMBL1917723) Show SMILES Cc1onc(c1-c1ccccc1)-c1ccc(O)cc1O Show InChI InChI=1S/C16H13NO3/c1-10-15(11-5-3-2-4-6-11)16(17-20-10)13-8-7-12(18)9-14(13)19/h2-9,18-19H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Research and Development Curated by ChEMBL					Assay Description Inhibition of human Hsp90beta after overnight incubation by fluorescence polarization assay				J Med Chem 54: 7206-19 (2011) Article DOI: 10.1021/jm200784m BindingDB Entry DOI: 10.7270/Q2QR4XH4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50357456 (CHEMBL1917725) Show SMILES O=C1c2ccccc2-c2c1cccc2-c1nc2ccncc2[nH]1 Show InChI InChI=1S/C19H11N3O/c23-18-12-5-2-1-4-11(12)17-13(18)6-3-7-14(17)19-21-15-8-9-20-10-16(15)22-19/h1-10H,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Research and Development Curated by ChEMBL					Assay Description Inhibition of HSP90beta in human SKBR3 cells assessed as down regulation of HER2 expression levels after 24 hrs by FACS analysis				J Med Chem 54: 7206-19 (2011) Article DOI: 10.1021/jm200784m BindingDB Entry DOI: 10.7270/Q2QR4XH4
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50357455 (CHEMBL1917724) Show SMILES O=C1N2CCCC(=C2c2ccccc12)c1nc2ccncc2[nH]1 |c:6| Show InChI InChI=1S/C18H14N4O/c23-18-12-5-2-1-4-11(12)16-13(6-3-9-22(16)18)17-20-14-7-8-19-10-15(14)21-17/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Research and Development Curated by ChEMBL					Assay Description Inhibition of HSP90beta in human SKBR3 cells assessed as down regulation of HER2 expression levels after 24 hrs by FACS analysis				J Med Chem 54: 7206-19 (2011) Article DOI: 10.1021/jm200784m BindingDB Entry DOI: 10.7270/Q2QR4XH4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50357457 (CHEMBL1917726) Show SMILES NC(=O)CCC(=O)NC1c2ccccc2-c2c1cccc2-c1nc2ccncc2[nH]1 Show InChI InChI=1S/C23H19N5O2/c24-19(29)8-9-20(30)28-22-14-5-2-1-4-13(14)21-15(22)6-3-7-16(21)23-26-17-10-11-25-12-18(17)27-23/h1-7,10-12,22H,8-9H2,(H2,24,29)(H,26,27)(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Research and Development Curated by ChEMBL					Assay Description Inhibition of HSP90beta in human SKBR3 cells assessed as down regulation of HER2 expression levels after 24 hrs by FACS analysis				J Med Chem 54: 7206-19 (2011) Article DOI: 10.1021/jm200784m BindingDB Entry DOI: 10.7270/Q2QR4XH4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50357454 (CHEMBL1917878) Show SMILES O=C(N[C@@H]1c2ccccc2-c2c1cccc2-c1nc2ccncc2[nH]1)c1ccnc2[nH]ccc12 |r| Show InChI InChI=1S/C27H18N6O/c34-27(18-9-13-30-25-17(18)8-12-29-25)33-24-16-5-2-1-4-15(16)23-19(24)6-3-7-20(23)26-31-21-10-11-28-14-22(21)32-26/h1-14,24H,(H,29,30)(H,31,32)(H,33,34)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Research and Development Curated by ChEMBL					Assay Description Binding affinity to human Hsp90beta after overnight incubation by fluorescence polarization assay				J Med Chem 54: 7206-19 (2011) Article DOI: 10.1021/jm200784m BindingDB Entry DOI: 10.7270/Q2QR4XH4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM15359 ((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C |r,w:16.16,38.39,t:28| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-12,15-17,19,24-25,27,29,35-37H,1,13-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9?,18-10?,20-15+,33-12?/t17-,19+,24+,25+,27-,29+/m1/s1	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	n/a	7.30	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Research and Development Curated by ChEMBL					Assay Description Binding affinity to human Hsp90beta after overnight incubation by fluorescence polarization assay				J Med Chem 54: 7206-19 (2011) Article DOI: 10.1021/jm200784m BindingDB Entry DOI: 10.7270/Q2QR4XH4
					More data for this Ligand-Target Pair