Compile Data Set for Download or QSAR

Found 158 hits with Last Name = 'albericio' and Initial = 'f'   

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
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50088564 (CHEMBL3577041) Show SMILES COC(=O)[C@@H](NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1)C(C)C |r| Show InChI InChI=1S/C23H25N3O6/c1-13(2)19(23(31)32-4)26-21(29)15-9-11-16(12-10-15)25-22(30)20(28)17-7-5-6-8-18(17)24-14(3)27/h5-13,19H,1-4H3,(H,24,27)(H,25,30)(H,26,29)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition				Bioorg Med Chem Lett 25: 70-4 (2015) Article DOI: 10.1016/j.bmcl.2014.11.007 BindingDB Entry DOI: 10.7270/Q24F1SGH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition				Bioorg Med Chem Lett 25: 70-4 (2015) Article DOI: 10.1016/j.bmcl.2014.11.007 BindingDB Entry DOI: 10.7270/Q24F1SGH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50088560 (CHEMBL3577045) Show SMILES COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1 Show InChI InChI=1S/C21H21N3O6/c1-13(25)23-17-6-4-3-5-16(17)19(27)21(29)24-15-9-7-14(8-10-15)20(28)22-12-11-18(26)30-2/h3-10H,11-12H2,1-2H3,(H,22,28)(H,23,25)(H,24,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition				Bioorg Med Chem Lett 25: 70-4 (2015) Article DOI: 10.1016/j.bmcl.2014.11.007 BindingDB Entry DOI: 10.7270/Q24F1SGH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50088568 (CHEMBL3577037) Show SMILES COC(=O)CCNC(=O)C(=O)c1ccccc1NC(C)=O Show InChI InChI=1S/C14H16N2O5/c1-9(17)16-11-6-4-3-5-10(11)13(19)14(20)15-8-7-12(18)21-2/h3-6H,7-8H2,1-2H3,(H,15,20)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition				Bioorg Med Chem Lett 25: 70-4 (2015) Article DOI: 10.1016/j.bmcl.2014.11.007 BindingDB Entry DOI: 10.7270/Q24F1SGH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50088563 (CHEMBL3577042) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1 |r| Show InChI InChI=1S/C27H25N3O6/c1-17(31)28-22-11-7-6-10-21(22)24(32)26(34)29-20-14-12-19(13-15-20)25(33)30-23(27(35)36-2)16-18-8-4-3-5-9-18/h3-15,23H,16H2,1-2H3,(H,28,31)(H,29,34)(H,30,33)/t23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition				Bioorg Med Chem Lett 25: 70-4 (2015) Article DOI: 10.1016/j.bmcl.2014.11.007 BindingDB Entry DOI: 10.7270/Q24F1SGH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50088565 (CHEMBL3577040) Show SMILES COC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1 |r| Show InChI InChI=1S/C21H21N3O6/c1-12(21(29)30-3)22-19(27)14-8-10-15(11-9-14)24-20(28)18(26)16-6-4-5-7-17(16)23-13(2)25/h4-12H,1-3H3,(H,22,27)(H,23,25)(H,24,28)/t12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition				Bioorg Med Chem Lett 25: 70-4 (2015) Article DOI: 10.1016/j.bmcl.2014.11.007 BindingDB Entry DOI: 10.7270/Q24F1SGH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50088562 (CHEMBL3577043) Show SMILES COC(=O)C(C)(C)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1 Show InChI InChI=1S/C22H23N3O6/c1-13(26)23-17-8-6-5-7-16(17)18(27)20(29)24-15-11-9-14(10-12-15)19(28)25-22(2,3)21(30)31-4/h5-12H,1-4H3,(H,23,26)(H,24,29)(H,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition				Bioorg Med Chem Lett 25: 70-4 (2015) Article DOI: 10.1016/j.bmcl.2014.11.007 BindingDB Entry DOI: 10.7270/Q24F1SGH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50088557 (CHEMBL3577048) Show SMILES COC(=O)C1(CCCC1)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1 Show InChI InChI=1S/C24H25N3O6/c1-15(28)25-19-8-4-3-7-18(19)20(29)22(31)26-17-11-9-16(10-12-17)21(30)27-24(23(32)33-2)13-5-6-14-24/h3-4,7-12H,5-6,13-14H2,1-2H3,(H,25,28)(H,26,31)(H,27,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition				Bioorg Med Chem Lett 25: 70-4 (2015) Article DOI: 10.1016/j.bmcl.2014.11.007 BindingDB Entry DOI: 10.7270/Q24F1SGH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50088559 (CHEMBL3577046) Show SMILES COC(=O)CCCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1 Show InChI InChI=1S/C22H23N3O6/c1-14(26)24-18-7-4-3-6-17(18)20(28)22(30)25-16-11-9-15(10-12-16)21(29)23-13-5-8-19(27)31-2/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,23,29)(H,24,26)(H,25,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition				Bioorg Med Chem Lett 25: 70-4 (2015) Article DOI: 10.1016/j.bmcl.2014.11.007 BindingDB Entry DOI: 10.7270/Q24F1SGH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM22787 (1-acetyl-2,3-dihydro-1H-indole-2,3-dione | Acetyli...) Show SMILES CC(=O)N1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition				Bioorg Med Chem Lett 25: 70-4 (2015) Article DOI: 10.1016/j.bmcl.2014.11.007 BindingDB Entry DOI: 10.7270/Q24F1SGH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50088554 (CHEMBL3577036) Show SMILES COC(=O)C[C@H](NC(=O)C(=O)c1ccccc1NC(C)=O)C(=O)OC |r| Show InChI InChI=1S/C16H18N2O7/c1-9(19)17-11-7-5-4-6-10(11)14(21)15(22)18-12(16(23)25-3)8-13(20)24-2/h4-7,12H,8H2,1-3H3,(H,17,19)(H,18,22)/t12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition				Bioorg Med Chem Lett 25: 70-4 (2015) Article DOI: 10.1016/j.bmcl.2014.11.007 BindingDB Entry DOI: 10.7270/Q24F1SGH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50088561 (CHEMBL3577044) Show SMILES COC(=O)C[C@H](NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1)C(=O)OC |r| Show InChI InChI=1S/C23H23N3O8/c1-13(27)24-17-7-5-4-6-16(17)20(29)22(31)25-15-10-8-14(9-11-15)21(30)26-18(23(32)34-3)12-19(28)33-2/h4-11,18H,12H2,1-3H3,(H,24,27)(H,25,31)(H,26,30)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition				Bioorg Med Chem Lett 25: 70-4 (2015) Article DOI: 10.1016/j.bmcl.2014.11.007 BindingDB Entry DOI: 10.7270/Q24F1SGH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50088567 (CHEMBL3577038) Show SMILES COC(=O)CCCNC(=O)C(=O)c1ccccc1NC(C)=O Show InChI InChI=1S/C15H18N2O5/c1-10(18)17-12-7-4-3-6-11(12)14(20)15(21)16-9-5-8-13(19)22-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,16,21)(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition				Bioorg Med Chem Lett 25: 70-4 (2015) Article DOI: 10.1016/j.bmcl.2014.11.007 BindingDB Entry DOI: 10.7270/Q24F1SGH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50088566 (CHEMBL3577039) Show SMILES COC(=O)CCCCCNC(=O)C(=O)c1ccccc1NC(C)=O Show InChI InChI=1S/C17H22N2O5/c1-12(20)19-14-9-6-5-8-13(14)16(22)17(23)18-11-7-3-4-10-15(21)24-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,18,23)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition				Bioorg Med Chem Lett 25: 70-4 (2015) Article DOI: 10.1016/j.bmcl.2014.11.007 BindingDB Entry DOI: 10.7270/Q24F1SGH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50088555 (CHEMBL3577035) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1ccccc1NC(C)=O |r| Show InChI InChI=1S/C17H22N2O5/c1-10(2)9-14(17(23)24-4)19-16(22)15(21)12-7-5-6-8-13(12)18-11(3)20/h5-8,10,14H,9H2,1-4H3,(H,18,20)(H,19,22)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition				Bioorg Med Chem Lett 25: 70-4 (2015) Article DOI: 10.1016/j.bmcl.2014.11.007 BindingDB Entry DOI: 10.7270/Q24F1SGH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50088556 (CHEMBL3577034) Show SMILES CCOC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1 Show InChI InChI=1S/C19H18N2O5/c1-3-26-19(25)13-8-10-14(11-9-13)21-18(24)17(23)15-6-4-5-7-16(15)20-12(2)22/h4-11H,3H2,1-2H3,(H,20,22)(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition				Bioorg Med Chem Lett 25: 70-4 (2015) Article DOI: 10.1016/j.bmcl.2014.11.007 BindingDB Entry DOI: 10.7270/Q24F1SGH
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50226429 (CHEMBL237354 | [L-arginyl]-N-(2,4-dichlorophenethy...) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7](-[#6]-[#6]-c1ccc(Cl)cc1Cl)-[#6]-[#6](=O)-[#7]-[#6]-[#6]-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H30Cl4N6O2/c25-17-5-3-15(19(27)12-17)7-10-32-22(35)14-34(11-8-16-4-6-18(26)13-20(16)28)23(36)21(29)2-1-9-33-24(30)31/h3-6,12-13,21H,1-2,7-11,14,29H2,(H,32,35)(H4,30,31,33)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes				J Med Chem 50: 6133-43 (2007) Article DOI: 10.1021/jm070612v BindingDB Entry DOI: 10.7270/Q2FQ9WC0
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50226436 (CHEMBL401228 | [L-arginyl]-[N-(2,4-dichloropheneth...) Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O |wD:1.0,(-7.03,-18.3,;-5.69,-19.07,;-5.69,-20.61,;-7.03,-21.38,;-7.03,-22.92,;-8.36,-23.69,;-8.36,-25.23,;-9.7,-26,;-7.03,-26,;-4.36,-18.31,;-4.36,-16.77,;-3.03,-19.08,;-3.03,-20.62,;-1.69,-21.39,;-1.69,-22.93,;-3.03,-23.69,;-3.03,-25.23,;-1.7,-26,;-1.69,-27.54,;-.36,-25.22,;-.36,-23.68,;.97,-22.91,;-1.69,-18.31,;-.36,-19.08,;-.36,-20.62,;.97,-18.31,;.97,-16.77,;-.36,-16,;-.36,-14.46,;.88,-13.56,;.41,-12.09,;-1.13,-12.09,;-2.16,-10.94,;-3.67,-11.27,;-4.15,-12.74,;-3.11,-13.88,;-1.61,-13.56,;2.31,-19.08,;3.64,-18.31,;4.98,-19.08,;3.64,-16.77,)| Show InChI InChI=1S/C28H36Cl2N8O3/c29-20-8-7-18(22(30)14-20)9-13-38(27(41)23(31)5-3-11-35-28(33)34)17-26(40)37(16-25(32)39)12-10-19-15-36-24-6-2-1-4-21(19)24/h1-2,4,6-8,14-15,23,36H,3,5,9-13,16-17,31H2,(H2,32,39)(H4,33,34,35)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes				J Med Chem 50: 6133-43 (2007) Article DOI: 10.1021/jm070612v BindingDB Entry DOI: 10.7270/Q2FQ9WC0
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50246740 ((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(2-carboxy...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10| Show InChI InChI=1S/C38H52O6/c1-33(2)18-20-38(32(42)43)21-19-36(6)25(26(38)22-33)12-13-28-35(5)16-15-29(34(3,4)27(35)14-17-37(28,36)7)44-31(41)24-11-9-8-10-23(24)30(39)40/h8-12,26-29H,13-22H2,1-7H3,(H,39,40)(H,42,43)/t26-,27-,28+,29-,35-,36+,37+,38-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496372 (CHEMBL3126478) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)c4ccccc4C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C45H58O6/c1-40(2)23-25-45(39(49)50-28-29-13-9-8-10-14-29)26-24-43(6)32(33(45)27-40)17-18-35-42(5)21-20-36(41(3,4)34(42)19-22-44(35,43)7)51-38(48)31-16-12-11-15-30(31)37(46)47/h8-17,33-36H,18-28H2,1-7H3,(H,46,47)/t33-,34-,35+,36-,42-,43+,44+,45-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50226431 (CHEMBL237138 | [[N-(2,4-dichlorophenethyl)-N-(6-am...) Show SMILES NCCCCCCN(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O Show InChI InChI=1S/C26H34Cl4N4O2/c27-21-7-5-19(23(29)15-21)9-13-33(12-4-2-1-3-11-31)18-26(36)34(17-25(32)35)14-10-20-6-8-22(28)16-24(20)30/h5-8,15-16H,1-4,9-14,17-18,31H2,(H2,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes				J Med Chem 50: 6133-43 (2007) Article DOI: 10.1021/jm070612v BindingDB Entry DOI: 10.7270/Q2FQ9WC0
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50226430 (CHEMBL400008 | [L-arginyl]-[N-[2-(indol-3-yl)ethyl...) Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O |wD:1.0,(27.93,-2.09,;29.26,-2.86,;29.26,-4.4,;27.92,-5.17,;27.92,-6.71,;26.59,-7.48,;26.59,-9.02,;25.26,-9.79,;27.92,-9.79,;30.59,-2.09,;30.59,-.55,;31.93,-2.86,;31.93,-4.4,;33.26,-5.17,;33.26,-6.71,;32.02,-7.62,;32.49,-9.08,;34.03,-9.08,;35.06,-10.22,;36.56,-9.9,;37.04,-8.43,;36.01,-7.3,;34.51,-7.62,;33.26,-2.09,;34.59,-2.86,;34.59,-4.4,;35.93,-2.09,;35.93,-.55,;34.59,.22,;34.6,1.76,;33.26,2.53,;33.26,4.08,;34.59,4.85,;34.59,6.39,;35.93,4.08,;35.93,2.53,;37.27,1.76,;37.26,-2.86,;38.6,-2.09,;39.93,-2.86,;38.6,-.55,)| Show InChI InChI=1S/C28H36Cl2N8O3/c29-20-8-7-18(22(30)14-20)9-12-37(16-25(32)39)26(40)17-38(27(41)23(31)5-3-11-35-28(33)34)13-10-19-15-36-24-6-2-1-4-21(19)24/h1-2,4,6-8,14-15,23,36H,3,5,9-13,16-17,31H2,(H2,32,39)(H4,33,34,35)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes				J Med Chem 50: 6133-43 (2007) Article DOI: 10.1021/jm070612v BindingDB Entry DOI: 10.7270/Q2FQ9WC0
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50277089 (CHEMBL320364 | Oleanolic Acid 3-O-Glutarate) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CCCC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C35H54O6/c1-30(2)17-19-35(29(39)40)20-18-33(6)22(23(35)21-30)11-12-25-32(5)15-14-26(41-28(38)10-8-9-27(36)37)31(3,4)24(32)13-16-34(25,33)7/h11,23-26H,8-10,12-21H2,1-7H3,(H,36,37)(H,39,40)/t23-,24-,25+,26-,32-,33+,34+,35-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496355 (CHEMBL318169) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CC(C)(C)CC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C37H58O6/c1-31(2)16-18-37(30(41)42)19-17-35(8)23(24(37)20-31)10-11-26-34(7)14-13-27(33(5,6)25(34)12-15-36(26,35)9)43-29(40)22-32(3,4)21-28(38)39/h10,24-27H,11-22H2,1-9H3,(H,38,39)(H,41,42)/t24-,25-,26+,27-,34-,35+,36+,37-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50226432 (CHEMBL430173 | cis-(L-arginyl)amino-N-(2,4-dichlor...) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6@H](-[#7](-[#6]-c2ccc(Cl)cc2Cl)-[#6]-1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C26H33Cl4N7O2/c27-17-5-3-15(20(29)10-17)7-9-34-25(39)23-12-19(36-24(38)22(31)2-1-8-35-26(32)33)14-37(23)13-16-4-6-18(28)11-21(16)30/h3-6,10-11,19,22-23H,1-2,7-9,12-14,31H2,(H,34,39)(H,36,38)(H4,32,33,35)/t19-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes				J Med Chem 50: 6133-43 (2007) Article DOI: 10.1021/jm070612v BindingDB Entry DOI: 10.7270/Q2FQ9WC0
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50226435 ((S)-N-(2,4-dichlorophenethyl)-N-(2-((2,4-dichlorop...) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7](-[#6]-[#6]-c1ccc(Cl)cc1Cl)-[#6]-[#6](=O)-[#7](-[#6]-[#6]-c1ccc(Cl)cc1Cl)-[#6]-[#6](-[#7])=O Show InChI InChI=1S/C26H33Cl4N7O3/c27-18-5-3-16(20(29)12-18)7-10-36(14-23(32)38)24(39)15-37(11-8-17-4-6-19(28)13-21(17)30)25(40)22(31)2-1-9-35-26(33)34/h3-6,12-13,22H,1-2,7-11,14-15,31H2,(H2,32,38)(H4,33,34,35)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes				J Med Chem 50: 6133-43 (2007) Article DOI: 10.1021/jm070612v BindingDB Entry DOI: 10.7270/Q2FQ9WC0
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A (Rattus norvegicus (Rat)-RAT)	BDBM50226429 (CHEMBL237354 | [L-arginyl]-N-(2,4-dichlorophenethy...) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7](-[#6]-[#6]-c1ccc(Cl)cc1Cl)-[#6]-[#6](=O)-[#7]-[#6]-[#6]-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H30Cl4N6O2/c25-17-5-3-15(19(27)12-17)7-10-32-22(35)14-34(11-8-16-4-6-18(26)13-20(16)28)23(36)21(29)2-1-9-33-24(30)31/h3-6,12-13,21H,1-2,7-11,14,29H2,(H,32,35)(H4,30,31,33)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Blockade of L-glutamate/glycine-activated rat NR1/NR2A NMDA receptor expressed in Xenopus oocytes				J Med Chem 50: 6133-43 (2007) Article DOI: 10.1021/jm070612v BindingDB Entry DOI: 10.7270/Q2FQ9WC0
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496359 (CHEMBL3126474) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)c4ccccc4C(O)=O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C45H58O7/c1-40(2)21-23-45(39(50)51-27-28-13-9-8-10-14-28)24-22-43(6)31(32(45)25-40)17-18-35-42(5)26-33(36(46)41(3,4)34(42)19-20-44(35,43)7)52-38(49)30-16-12-11-15-29(30)37(47)48/h8-17,32-36,46H,18-27H2,1-7H3,(H,47,48)/t32-,33+,34-,35+,36-,42-,43+,44+,45-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50226434 (CHEMBL392540 | [L-arginyl]-N-[2-(indol-3-yl)ethyl]...) Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCCc1c[nH]c2ccccc12 |wD:1.0,(8.54,-38.39,;9.88,-39.16,;9.88,-40.7,;8.54,-41.47,;8.54,-43.01,;7.21,-43.78,;7.21,-45.32,;5.87,-46.09,;8.54,-46.09,;11.21,-38.39,;11.21,-36.85,;12.54,-39.16,;12.54,-40.7,;13.88,-41.47,;13.88,-43.01,;12.64,-43.92,;13.11,-45.38,;14.65,-45.38,;15.68,-46.52,;17.18,-46.2,;17.65,-44.73,;16.62,-43.6,;15.13,-43.92,;13.88,-38.39,;15.21,-39.16,;15.21,-40.7,;16.55,-38.39,;16.55,-36.85,;15.21,-36.08,;15.21,-34.54,;16.45,-33.64,;15.98,-32.18,;14.44,-32.17,;13.41,-31.03,;11.9,-31.35,;11.42,-32.83,;12.46,-33.96,;13.96,-33.64,)| Show InChI InChI=1S/C28H36N8O2/c29-23(8-5-13-33-28(30)31)27(38)36(15-12-20-17-35-25-10-4-2-7-22(20)25)18-26(37)32-14-11-19-16-34-24-9-3-1-6-21(19)24/h1-4,6-7,9-10,16-17,23,34-35H,5,8,11-15,18,29H2,(H,32,37)(H4,30,31,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes				J Med Chem 50: 6133-43 (2007) Article DOI: 10.1021/jm070612v BindingDB Entry DOI: 10.7270/Q2FQ9WC0
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50226433 (CHEMBL395124 | [L-arginyl]-[N-[2-(indol-3-yl)-ethy...) Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O |wD:1.0,(12.78,-1.15,;14.12,-1.92,;14.12,-3.46,;12.78,-4.23,;12.78,-5.77,;11.45,-6.54,;11.45,-8.08,;10.11,-8.85,;12.78,-8.85,;15.45,-1.15,;15.45,.39,;16.78,-1.92,;16.78,-3.46,;18.12,-4.23,;18.12,-5.77,;16.87,-6.68,;17.35,-8.14,;18.89,-8.14,;19.91,-9.28,;21.42,-8.96,;21.89,-7.49,;20.86,-6.36,;19.37,-6.68,;18.12,-1.15,;19.45,-1.92,;19.45,-3.46,;20.78,-1.15,;20.78,.39,;19.45,1.16,;19.45,2.7,;20.69,3.6,;20.22,5.06,;18.68,5.07,;17.65,6.21,;16.14,5.89,;15.66,4.41,;16.7,3.28,;18.2,3.6,;22.12,-1.92,;23.45,-1.15,;24.79,-1.92,;23.45,.39,)| Show InChI InChI=1S/C30H39N9O3/c31-24(8-5-13-35-30(33)34)29(42)39(15-12-21-17-37-26-10-4-2-7-23(21)26)19-28(41)38(18-27(32)40)14-11-20-16-36-25-9-3-1-6-22(20)25/h1-4,6-7,9-10,16-17,24,36-37H,5,8,11-15,18-19,31H2,(H2,32,40)(H4,33,34,35)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes				J Med Chem 50: 6133-43 (2007) Article DOI: 10.1021/jm070612v BindingDB Entry DOI: 10.7270/Q2FQ9WC0
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496357 (CHEMBL3126455) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)CCCC(O)=O)[C@H](OC(=O)CCCC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C40H60O10/c1-35(2)18-20-40(34(47)48)21-19-38(6)24(25(40)22-35)14-15-28-37(5)23-26(49-31(45)12-8-10-29(41)42)33(50-32(46)13-9-11-30(43)44)36(3,4)27(37)16-17-39(28,38)7/h14,25-28,33H,8-13,15-23H2,1-7H3,(H,41,42)(H,43,44)(H,47,48)/t25-,26+,27-,28+,33-,37-,38+,39+,40-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496366 (CHEMBL3126468) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)CCC(O)=O)[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C38H56O10/c1-33(2)16-18-38(32(45)46)19-17-36(6)22(23(38)20-33)8-9-26-35(5)21-24(47-29(43)12-10-27(39)40)31(48-30(44)13-11-28(41)42)34(3,4)25(35)14-15-37(26,36)7/h8,23-26,31H,9-21H2,1-7H3,(H,39,40)(H,41,42)(H,45,46)/t23-,24+,25-,26+,31-,35-,36+,37+,38-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496362 (CHEMBL3126461) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)c4ccccc4C(O)=O)[C@H](OC(=O)c4ccccc4C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C53H62O10/c1-48(2)25-27-53(47(60)61-31-32-15-9-8-10-16-32)28-26-51(6)37(38(53)29-48)21-22-41-50(5)30-39(62-45(58)35-19-13-11-17-33(35)43(54)55)42(49(3,4)40(50)23-24-52(41,51)7)63-46(59)36-20-14-12-18-34(36)44(56)57/h8-21,38-42H,22-31H2,1-7H3,(H,54,55)(H,56,57)/t38-,39+,40-,41+,42-,50-,51+,52+,53-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50162761 (CHEMBL180302 | [4-Guanidino-1-((S)-4-{(S)-5-[4-((S...) Show SMILES NC(=N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CCCNC(N)=N)NC1=O Show InChI InChI=1S/C31H51N11O6/c32-29(33)38-18-8-14-22(42-31(47)48-20-21-10-2-1-3-11-21)26(44)37-17-7-5-13-24-28(46)40-23(27(45)41-24)12-4-6-16-36-25(43)15-9-19-39-30(34)35/h1-3,10-11,22-24H,4-9,12-20H2,(H,36,43)(H,37,44)(H,40,46)(H,41,45)(H,42,47)(H4,32,33,38)(H4,34,35,39)/t22-,23-,24-/m0/s1	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	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibitory concentration against tryptase				Bioorg Med Chem Lett 15: 1659-64 (2005) Article DOI: 10.1016/j.bmcl.2005.01.048 BindingDB Entry DOI: 10.7270/Q21N80N1
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496367 (CHEMBL3126466) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)c4ccccc4C(O)=O)[C@H](OC(=O)c4ccccc4C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C46H56O10/c1-41(2)20-22-46(40(53)54)23-21-44(6)30(31(46)24-41)16-17-34-43(5)25-32(55-38(51)28-14-10-8-12-26(28)36(47)48)35(42(3,4)33(43)18-19-45(34,44)7)56-39(52)29-15-11-9-13-27(29)37(49)50/h8-16,31-35H,17-25H2,1-7H3,(H,47,48)(H,49,50)(H,53,54)/t31-,32+,33-,34+,35-,43-,44+,45+,46-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50162770 (CHEMBL180281 | N-[4-Guanidino-1-((S)-4-{(S)-5-[4-(...) Show SMILES NC(=N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CCCNC(N)=N)NC1=O Show InChI InChI=1S/C30H49N11O5/c31-29(32)37-18-8-14-21(39-25(43)20-10-2-1-3-11-20)26(44)36-17-7-5-13-23-28(46)40-22(27(45)41-23)12-4-6-16-35-24(42)15-9-19-38-30(33)34/h1-3,10-11,21-23H,4-9,12-19H2,(H,35,42)(H,36,44)(H,39,43)(H,40,46)(H,41,45)(H4,31,32,37)(H4,33,34,38)/t21-,22-,23-/m0/s1	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	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibitory concentration against tryptase				Bioorg Med Chem Lett 15: 1659-64 (2005) Article DOI: 10.1016/j.bmcl.2005.01.048 BindingDB Entry DOI: 10.7270/Q21N80N1
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A (Rattus norvegicus (Rat)-RAT)	BDBM50226431 (CHEMBL237138 | [[N-(2,4-dichlorophenethyl)-N-(6-am...) Show SMILES NCCCCCCN(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O Show InChI InChI=1S/C26H34Cl4N4O2/c27-21-7-5-19(23(29)15-21)9-13-33(12-4-2-1-3-11-31)18-26(36)34(17-25(32)35)14-10-20-6-8-22(28)16-24(20)30/h5-8,15-16H,1-4,9-14,17-18,31H2,(H2,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Blockade of L-glutamate/glycine-activated rat NR1/NR2A NMDA receptor expressed in Xenopus oocytes				J Med Chem 50: 6133-43 (2007) Article DOI: 10.1021/jm070612v BindingDB Entry DOI: 10.7270/Q2FQ9WC0
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496365 (CHEMBL3126454) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)CCCC(O)=O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C35H54O7/c1-30(2)15-17-35(29(40)41)18-16-33(6)21(22(35)19-30)11-12-25-32(5)20-23(42-27(38)10-8-9-26(36)37)28(39)31(3,4)24(32)13-14-34(25,33)7/h11,22-25,28,39H,8-10,12-20H2,1-7H3,(H,36,37)(H,40,41)/t22-,23+,24-,25+,28-,32-,33+,34+,35-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50102741 (3-O-Acetyloleanolic Acid | Acetyl Oleanolic Acid) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496371 (CHEMBL3126467) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)CCC(O)=O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C34H52O7/c1-29(2)14-16-34(28(39)40)17-15-32(6)20(21(34)18-29)8-9-24-31(5)19-22(41-26(37)11-10-25(35)36)27(38)30(3,4)23(31)12-13-33(24,32)7/h8,21-24,27,38H,9-19H2,1-7H3,(H,35,36)(H,39,40)/t21-,22+,23-,24+,27-,31-,32+,33+,34-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496360 (CHEMBL3126453) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)CCCC(O)=O)[C@H](OC(=O)CCCC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C47H66O10/c1-42(2)23-25-47(41(54)55-29-30-13-9-8-10-14-30)26-24-45(6)31(32(47)27-42)19-20-35-44(5)28-33(56-38(52)17-11-15-36(48)49)40(57-39(53)18-12-16-37(50)51)43(3,4)34(44)21-22-46(35,45)7/h8-10,13-14,19,32-35,40H,11-12,15-18,20-29H2,1-7H3,(H,48,49)(H,50,51)/t32-,33+,34-,35+,40-,44-,45+,46+,47-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50162764 (CHEMBL359680 | [1-((S)-4-{(S)-5-[4-((S)-(S)-2-Benz...) Show SMILES NC(=N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc2ccccc2)NC1=O Show InChI InChI=1S/C40H60N12O8/c41-37(42)47-23-11-19-29(51-39(57)59-25-27-13-3-1-4-14-27)33(53)45-21-9-7-17-31-35(55)50-32(36(56)49-31)18-8-10-22-46-34(54)30(20-12-24-48-38(43)44)52-40(58)60-26-28-15-5-2-6-16-28/h1-6,13-16,29-32H,7-12,17-26H2,(H,45,53)(H,46,54)(H,49,56)(H,50,55)(H,51,57)(H,52,58)(H4,41,42,47)(H4,43,44,48)/t29-,30-,31-,32-/m0/s1	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	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibitory concentration against tryptase				Bioorg Med Chem Lett 15: 1659-64 (2005) Article DOI: 10.1016/j.bmcl.2005.01.048 BindingDB Entry DOI: 10.7270/Q21N80N1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50162760 (4-Guanidino-N-[(S)-4-((S)-5-{4-[2-(2-imino-imidazo...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-2-[#6]-[#6]-[#7]=[#6]-2-[#7])-[#7]-[#6]-1=O |c:34| Show InChI InChI=1S/C25H38N10O4/c26-24(27)32-17-9-7-16(8-10-17)21(37)30-12-4-2-6-19-23(39)33-18(22(38)34-19)5-1-3-11-29-20(36)15-35-14-13-31-25(35)28/h7-10,18-19H,1-6,11-15H2,(H2,28,31)(H,29,36)(H,30,37)(H,33,39)(H,34,38)(H4,26,27,32)/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibitory concentration against tryptase				Bioorg Med Chem Lett 15: 1659-64 (2005) Article DOI: 10.1016/j.bmcl.2005.01.048 BindingDB Entry DOI: 10.7270/Q21N80N1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50162758 (4-Guanidino-N-(4-{(S)-5-[4-((S)-4-guanidino-butyry...) Show SMILES NC(=N)NCCCC(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CCCNC(N)=N)NC1=O Show InChI InChI=1S/C22H42N10O4/c23-21(24)29-13-5-9-17(33)27-11-3-1-7-15-19(35)32-16(20(36)31-15)8-2-4-12-28-18(34)10-6-14-30-22(25)26/h15-16H,1-14H2,(H,27,33)(H,28,34)(H,31,36)(H,32,35)(H4,23,24,29)(H4,25,26,30)/t15-,16-/m0/s1	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	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibitory concentration against tryptase				Bioorg Med Chem Lett 15: 1659-64 (2005) Article DOI: 10.1016/j.bmcl.2005.01.048 BindingDB Entry DOI: 10.7270/Q21N80N1
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496361 (CHEMBL3126463) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)CCC(O)=O)[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C45H62O10/c1-40(2)21-23-45(39(52)53-27-28-11-9-8-10-12-28)24-22-43(6)29(30(45)25-40)13-14-33-42(5)26-31(54-36(50)17-15-34(46)47)38(55-37(51)18-16-35(48)49)41(3,4)32(42)19-20-44(33,43)7/h8-13,30-33,38H,14-27H2,1-7H3,(H,46,47)(H,48,49)/t30-,31+,32-,33+,38-,42-,43+,44+,45-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50162762 (CHEMBL181327 | [(S)-4-Guanidino-1-((S)-4-{(S)-5-[4...) Show SMILES NC(=N)NCCCCC(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc2ccccc2)NC1=O Show InChI InChI=1S/C32H53N11O6/c33-30(34)39-19-9-6-16-26(44)37-17-7-4-13-24-28(46)42-25(29(47)41-24)14-5-8-18-38-27(45)23(15-10-20-40-31(35)36)43-32(48)49-21-22-11-2-1-3-12-22/h1-3,11-12,23-25H,4-10,13-21H2,(H,37,44)(H,38,45)(H,41,47)(H,42,46)(H,43,48)(H4,33,34,39)(H4,35,36,40)/t23-,24-,25-/m0/s1	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	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibitory concentration against tryptase				Bioorg Med Chem Lett 15: 1659-64 (2005) Article DOI: 10.1016/j.bmcl.2005.01.048 BindingDB Entry DOI: 10.7270/Q21N80N1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50162763 (CHEMBL181685 | N-((S)-4-{5-[4-(3-Guanidino-propion...) Show SMILES CN(CCC(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CCNC(N)=N)NC1=O)C(N)=N Show InChI InChI=1S/C21H40N10O4/c1-31(21(24)25)13-9-17(33)27-11-5-3-7-15-19(35)29-14(18(34)30-15)6-2-4-10-26-16(32)8-12-28-20(22)23/h14-15H,2-13H2,1H3,(H3,24,25)(H,26,32)(H,27,33)(H,29,35)(H,30,34)(H4,22,23,28)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibitory concentration against tryptase				Bioorg Med Chem Lett 15: 1659-64 (2005) Article DOI: 10.1016/j.bmcl.2005.01.048 BindingDB Entry DOI: 10.7270/Q21N80N1
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A (Rattus norvegicus (Rat)-RAT)	BDBM50226432 (CHEMBL430173 | cis-(L-arginyl)amino-N-(2,4-dichlor...) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6@H](-[#7](-[#6]-c2ccc(Cl)cc2Cl)-[#6]-1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C26H33Cl4N7O2/c27-17-5-3-15(20(29)10-17)7-9-34-25(39)23-12-19(36-24(38)22(31)2-1-8-35-26(32)33)14-37(23)13-16-4-6-18(28)11-21(16)30/h3-6,10-11,19,22-23H,1-2,7-9,12-14,31H2,(H,34,39)(H,36,38)(H4,32,33,35)/t19-,22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Blockade of L-glutamate/glycine-activated rat NR1/NR2A NMDA receptor expressed in Xenopus oocytes				J Med Chem 50: 6133-43 (2007) Article DOI: 10.1021/jm070612v BindingDB Entry DOI: 10.7270/Q2FQ9WC0
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50162759 (CHEMBL178315 | [1-(4-{(S)-5-[((S)-3-Carbamimidoyl-...) Show SMILES NC(=N)NCCCC(NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CC(=O)Nc2cccc(c2)C(N)=N)NC1=O Show InChI InChI=1S/C38H46N10O6/c39-33(40)22-9-7-10-23(19-22)45-32(49)20-31-36(52)46-30(35(51)47-31)15-5-6-17-43-34(50)29(16-8-18-44-37(41)42)48-38(53)54-21-28-26-13-3-1-11-24(26)25-12-2-4-14-27(25)28/h1-4,7,9-14,19,28-31H,5-6,8,15-18,20-21H2,(H3,39,40)(H,43,50)(H,45,49)(H,46,52)(H,47,51)(H,48,53)(H4,41,42,44)/t29?,30-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibitory concentration against tryptase				Bioorg Med Chem Lett 15: 1659-64 (2005) Article DOI: 10.1016/j.bmcl.2005.01.048 BindingDB Entry DOI: 10.7270/Q21N80N1
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50162765 ((S)-N-[4-Guanidino-1-((S)-4-{(S)-5-[4-(5-guanidino...) Show SMILES NC(=N)NCCCCC(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)c2ccccc2)NC1=O Show InChI InChI=1S/C31H51N11O5/c32-30(33)38-19-9-6-16-25(43)36-17-7-4-13-23-28(46)42-24(29(47)41-23)14-5-8-18-37-27(45)22(15-10-20-39-31(34)35)40-26(44)21-11-2-1-3-12-21/h1-3,11-12,22-24H,4-10,13-20H2,(H,36,43)(H,37,45)(H,40,44)(H,41,47)(H,42,46)(H4,32,33,38)(H4,34,35,39)/t22-,23-,24-/m0/s1	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	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibitory concentration against tryptase				Bioorg Med Chem Lett 15: 1659-64 (2005) Article DOI: 10.1016/j.bmcl.2005.01.048 BindingDB Entry DOI: 10.7270/Q21N80N1
					More data for this Ligand-Target Pair

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