Compile Data Set for Download or QSAR

Found 522 hits with Last Name = 'leduc' and Initial = 'r'   

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
Suppressor of tumorigenicity 14 protein [596-855] (Homo sapiens (Human))	BDBM236490 (US9365853, 1) Show SMILES C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C27H42N12O5S/c1-14(36-24(44)18(10-11-20(29)40)38-23(43)15(28)6-4-12-34-26(30)31)22(42)37-17(8-5-13-35-27(32)33)21(41)25-39-16-7-2-3-9-19(16)45-25/h2-3,7,9,14-15,17-18H,4-6,8,10-13,28H2,1H3,(H2,29,40)(H,36,44)(H,37,42)(H,38,43)(H4,30,31,34)(H4,32,33,35)/t14-,15+,17-,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0110	-62.5	n/a	n/a	n/a	n/a	n/a	7.4	25
TBA US Patent					Assay Description Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti...				US Patent US9365853 (2016) BindingDB Entry DOI: 10.7270/Q28W3C6F
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50420334 (CHEMBL2086421) Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C27H42N12O5S/c1-14(36-24(44)18(10-11-20(29)40)38-23(43)15(28)6-4-12-34-26(30)31)22(42)37-17(8-5-13-35-27(32)33)21(41)25-39-16-7-2-3-9-19(16)45-25/h2-3,7,9,14-15,17-18H,4-6,8,10-13,28H2,1H3,(H2,29,40)(H,36,44)(H,37,42)(H,38,43)(H4,30,31,34)(H4,32,33,35)/t14-,15-,17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tight binding inhibition of human matriptase expressed in Drosophila melanogaster S2 cells using Boc-QAR-AMC as substrate incubated for 15 mins prior...				ACS Med Chem Lett 3: 530-534 (2012) Article DOI: 10.1021/ml3000534 BindingDB Entry DOI: 10.7270/Q2DN469X
					More data for this Ligand-Target Pair
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM525149 (US10988505, Comparative #1) Show SMILES C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzymatic assays and Ki determination were performed at room temperature in an assay buffer containing 50 mM Tris-HCl, 150 mM NaCl and 500 μg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351MD
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50078007 (CHEMBL3417384) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032696 (CHEMBL3354674) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C29H44N12O5S/c30-16(6-3-13-36-28(32)33)24(44)39-19(11-12-22(31)42)27(46)41-15-5-9-20(41)25(45)38-18(8-4-14-37-29(34)35)23(43)26-40-17-7-1-2-10-21(17)47-26/h1-2,7,10,16,18-20H,3-6,8-9,11-15,30H2,(H2,31,42)(H,38,45)(H,39,44)(H4,32,33,36)(H4,34,35,37)/t16-,18-,19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis				J Med Chem 57: 10198-204 (2014) Article DOI: 10.1021/jm5015633 BindingDB Entry DOI: 10.7270/Q2DJ5H73
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein [596-855] (Homo sapiens (Human))	BDBM236493 (US10988505, Comparative #2 | US9365853, 4) Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C21H30N8O4S/c1-11(27-19(33)12(22)8-9-16(23)30)18(32)28-14(6-4-10-26-21(24)25)17(31)20-29-13-5-2-3-7-15(13)34-20/h2-3,5,7,11-12,14H,4,6,8-10,22H2,1H3,(H2,23,30)(H,27,33)(H,28,32)(H4,24,25,26)/t11-,12-,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0880	-57.4	n/a	n/a	n/a	n/a	n/a	7.4	25
TBA US Patent					Assay Description Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti...				US Patent US9365853 (2016) BindingDB Entry DOI: 10.7270/Q28W3C6F
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50420336 (CHEMBL2089123) Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C21H30N8O4S/c1-11(27-19(33)12(22)8-9-16(23)30)18(32)28-14(6-4-10-26-21(24)25)17(31)20-29-13-5-2-3-7-15(13)34-20/h2-3,5,7,11-12,14H,4,6,8-10,22H2,1H3,(H2,23,30)(H,27,33)(H,28,32)(H4,24,25,26)/t11-,12-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tight binding inhibition of human matriptase expressed in Drosophila melanogaster S2 cells using Boc-QAR-AMC as substrate incubated for 15 mins prior...				ACS Med Chem Lett 3: 530-534 (2012) Article DOI: 10.1021/ml3000534 BindingDB Entry DOI: 10.7270/Q2DN469X
					More data for this Ligand-Target Pair
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM236493 (US10988505, Comparative #2 | US9365853, 4) Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C21H30N8O4S/c1-11(27-19(33)12(22)8-9-16(23)30)18(32)28-14(6-4-10-26-21(24)25)17(31)20-29-13-5-2-3-7-15(13)34-20/h2-3,5,7,11-12,14H,4,6,8-10,22H2,1H3,(H2,23,30)(H,27,33)(H,28,32)(H4,24,25,26)/t11-,12-,14-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzymatic assays and Ki determination were performed at room temperature in an assay buffer containing 50 mM Tris-HCl, 150 mM NaCl and 500 μg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351MD
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032702 (CHEMBL3352840) Show SMILES C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C24H35N9O6S/c1-12(30-22(39)16(8-9-18(26)35)32-21(38)13(25)11-34)20(37)31-15(6-4-10-29-24(27)28)19(36)23-33-14-5-2-3-7-17(14)40-23/h2-3,5,7,12-13,15-16,34H,4,6,8-11,25H2,1H3,(H2,26,35)(H,30,39)(H,31,37)(H,32,38)(H4,27,28,29)/t12-,13-,15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis				J Med Chem 57: 10198-204 (2014) Article DOI: 10.1021/jm5015633 BindingDB Entry DOI: 10.7270/Q2DJ5H73
					More data for this Ligand-Target Pair
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM50032698 (CHEMBL3354676 | N-0130) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C33H46N12O5S/c34-20(10-6-16-40-32(36)37)28(48)43-23(14-15-26(35)46)29(49)44-24(18-19-8-2-1-3-9-19)30(50)42-22(12-7-17-41-33(38)39)27(47)31-45-21-11-4-5-13-25(21)51-31/h1-5,8-9,11,13,20,22-24H,6-7,10,12,14-18,34H2,(H2,35,46)(H,42,50)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t20-,22-,23-,24-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...				Citation and Details Article DOI: 10.1038/s41586-022-04661-w BindingDB Entry DOI: 10.7270/Q2NP27M4
					More data for this Ligand-Target Pair
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM525151 (US10988505, Example 1) Show SMILES NC(=O)CC[C@H](NC(=O)CCCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzymatic assays and Ki determination were performed at room temperature in an assay buffer containing 50 mM Tris-HCl, 150 mM NaCl and 500 μg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351MD
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172387 (CHEMBL3808761) Show SMILES CCCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C76H121N25O17S/c1-6-7-19-49(92-67(111)54(39-119)97-61(105)46(21-12-29-85-75(79)80)89-60(104)45(20-11-28-84-74(77)78)90-62(106)48-26-27-58(103)88-48)70(114)99-31-14-23-55(99)68(112)94-50(34-41(2)3)64(108)93-51(36-44-37-83-40-87-44)65(109)96-53(38-102)66(110)91-47(22-13-30-86-76(81)82)63(107)98-59(42(4)5)72(116)100-32-15-24-56(100)69(113)95-52(35-43-17-9-8-10-18-43)71(115)101-33-16-25-57(101)73(117)118/h8-10,17-18,37,40-42,45-57,59,102,119H,6-7,11-16,19-36,38-39H2,1-5H3,(H,83,87)(H,88,103)(H,89,104)(H,90,106)(H,91,110)(H,92,111)(H,93,108)(H,94,112)(H,95,113)(H,96,109)(H,97,105)(H,98,107)(H,117,118)(H4,77,78,84)(H4,79,80,85)(H4,81,82,86)/t45-,46-,47?,48?,49?,50-,51-,52-,53-,54?,55-,56-,57-,59-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...				J Med Chem 59: 2962-72 (2016) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172383 (CHEMBL3809968) Show SMILES CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C75H119N25O16S2/c1-40(2)34-50(94-67(110)54-21-13-30-98(54)69(112)49(26-33-118-6)92-66(109)53(38-117)96-61(104)46(19-11-28-84-74(78)79)90-60(103)45(18-10-27-83-73(76)77)91-62(105)48-24-25-57(101)88-48)65(108)93-51(36-44-37-82-39-86-44)64(107)87-42(5)59(102)89-47(20-12-29-85-75(80)81)63(106)97-58(41(3)4)71(114)99-31-14-22-55(99)68(111)95-52(35-43-16-8-7-9-17-43)70(113)100-32-15-23-56(100)72(115)116/h7-9,16-17,37,39-42,45-56,58,117H,10-15,18-36,38H2,1-6H3,(H,82,86)(H,87,107)(H,88,101)(H,89,102)(H,90,103)(H,91,105)(H,92,109)(H,93,108)(H,94,110)(H,95,111)(H,96,104)(H,97,106)(H,115,116)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t42-,45-,46-,47?,48?,49-,50-,51-,52-,53?,54-,55-,56-,58-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...				J Med Chem 59: 2962-72 (2016) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032699 (CHEMBL3354677) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C31H43N11O5S/c1-17(26(45)40-22(8-5-15-38-31(35)36)25(44)29-42-21-7-2-3-9-24(21)48-29)39-28(47)23(16-18-10-12-19(43)13-11-18)41-27(46)20(32)6-4-14-37-30(33)34/h2-3,7,9-13,17,20,22-23,43H,4-6,8,14-16,32H2,1H3,(H,39,47)(H,40,45)(H,41,46)(H4,33,34,37)(H4,35,36,38)/t17-,20-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis				J Med Chem 57: 10198-204 (2014) Article DOI: 10.1021/jm5015633 BindingDB Entry DOI: 10.7270/Q2DJ5H73
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032701 (CHEMBL3354679) Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C27H41N9O5S/c1-14(2)13-16(28)24(40)35-19(10-11-21(29)37)25(41)33-15(3)23(39)34-18(8-6-12-32-27(30)31)22(38)26-36-17-7-4-5-9-20(17)42-26/h4-5,7,9,14-16,18-19H,6,8,10-13,28H2,1-3H3,(H2,29,37)(H,33,41)(H,34,39)(H,35,40)(H4,30,31,32)/t15-,16-,18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis				J Med Chem 57: 10198-204 (2014) Article DOI: 10.1021/jm5015633 BindingDB Entry DOI: 10.7270/Q2DJ5H73
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032697 (CHEMBL3354675) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C33H46N12O6S/c34-20(5-3-15-40-32(36)37)28(49)43-23(13-14-26(35)47)29(50)44-24(17-18-9-11-19(46)12-10-18)30(51)42-22(7-4-16-41-33(38)39)27(48)31-45-21-6-1-2-8-25(21)52-31/h1-2,6,8-12,20,22-24,46H,3-5,7,13-17,34H2,(H2,35,47)(H,42,51)(H,43,49)(H,44,50)(H4,36,37,40)(H4,38,39,41)/t20-,22-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis				J Med Chem 57: 10198-204 (2014) Article DOI: 10.1021/jm5015633 BindingDB Entry DOI: 10.7270/Q2DJ5H73
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172370 (CHEMBL3809767) Show SMILES CSCCC(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(C)C)C(C)O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CC(N)=O)C(=O)NC1CSSCC(NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC1=O)C(=O)NC(CCSC)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCCNC(N)=N)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C170H286N62O39S4/c1-86(2)70-109(214-136(243)96(36-19-21-55-171)202-132(239)98(38-23-57-192-164(176)177)204-134(241)100(40-25-59-194-166(180)181)207-142(249)106(53-68-272-14)211-158(265)131(92(13)234)228-150(257)112(73-89(7)8)215-148(255)116(78-127(175)237)221-157(264)129(90(9)10)226-156(263)123-47-31-65-230(123)159(266)107(44-29-63-198-170(188)189)212-140(247)104-50-52-128(238)201-104)143(250)208-101(41-26-60-195-167(182)183)135(242)203-97(37-20-22-56-172)137(244)217-114(76-95-80-191-85-200-95)147(254)219-115(77-126(174)236)149(256)225-120-83-275-274-82-119(224-139(246)103(43-28-62-197-169(186)187)205-133(240)99(39-24-58-193-165(178)179)206-141(248)105(49-51-125(173)235)210-144(251)110(71-87(3)4)216-153(120)260)152(259)213-108(54-69-273-15)160(267)229-64-30-45-121(229)154(261)220-111(72-88(5)6)145(252)218-113(75-94-79-190-84-199-94)146(253)209-102(42-27-61-196-168(184)185)138(245)223-118(81-233)151(258)227-130(91(11)12)162(269)231-66-32-46-122(231)155(262)222-117(74-93-34-17-16-18-35-93)161(268)232-67-33-48-124(232)163(270)271/h16-18,34-35,79-80,84-92,96-124,129-131,233-234H,19-33,36-78,81-83,171-172H2,1-15H3,(H2,173,235)(H2,174,236)(H2,175,237)(H,190,199)(H,191,200)(H,201,238)(H,202,239)(H,203,242)(H,204,241)(H,205,240)(H,206,248)(H,207,249)(H,208,250)(H,209,253)(H,210,251)(H,211,265)(H,212,247)(H,213,259)(H,214,243)(H,215,255)(H,216,260)(H,217,244)(H,218,252)(H,219,254)(H,220,261)(H,221,264)(H,222,262)(H,223,245)(H,224,246)(H,225,256)(H,226,263)(H,227,258)(H,228,257)(H,270,271)(H4,176,177,192)(H4,178,179,193)(H4,180,181,194)(H4,182,183,195)(H4,184,185,196)(H4,186,187,197)(H4,188,189,198)/t92?,96-,97-,98-,99-,100?,101-,102-,103-,104?,105?,106?,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118?,119-,120-,121-,122-,123-,124-,129-,130-,131-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...				J Med Chem 59: 2962-72 (2016) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50077994 (CHEMBL3417378) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(C)cc1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172369 (CHEMBL3810388) Show SMILES CSCCC(NC(=O)C1CSSCC(N)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C84H136N28O19S3/c1-44(2)35-55-71(120)101-53(25-26-64(86)114)69(118)99-50(19-11-28-94-82(87)88)67(116)98-51(20-12-29-95-83(89)90)68(117)108-60(42-134-133-41-49(85)66(115)103-55)75(124)102-54(27-34-132-7)78(127)110-31-14-22-61(110)76(125)105-56(36-45(3)4)72(121)104-57(38-48-39-93-43-97-48)73(122)107-59(40-113)74(123)100-52(21-13-30-96-84(91)92)70(119)109-65(46(5)6)80(129)111-32-15-23-62(111)77(126)106-58(37-47-17-9-8-10-18-47)79(128)112-33-16-24-63(112)81(130)131/h8-10,17-18,39,43-46,49-63,65,113H,11-16,19-38,40-42,85H2,1-7H3,(H2,86,114)(H,93,97)(H,98,116)(H,99,118)(H,100,123)(H,101,120)(H,102,124)(H,103,115)(H,104,121)(H,105,125)(H,106,126)(H,107,122)(H,108,117)(H,109,119)(H,130,131)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)/t49?,50-,51-,52?,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,65-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...				J Med Chem 59: 2962-72 (2016) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032698 (CHEMBL3354676 | N-0130) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C33H46N12O5S/c34-20(10-6-16-40-32(36)37)28(48)43-23(14-15-26(35)46)29(49)44-24(18-19-8-2-1-3-9-19)30(50)42-22(12-7-17-41-33(38)39)27(47)31-45-21-11-4-5-13-25(21)51-31/h1-5,8-9,11,13,20,22-24H,6-7,10,12,14-18,34H2,(H2,35,46)(H,42,50)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t20-,22-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis				J Med Chem 57: 10198-204 (2014) Article DOI: 10.1021/jm5015633 BindingDB Entry DOI: 10.7270/Q2DJ5H73
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50078002 (CHEMBL3417389) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@](C)(Cc1ccccc1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172368 (CHEMBL3809335) Show SMILES CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(N)CS)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C84H138N28O19S3/c1-44(2)35-55(103-66(115)49(85)41-132)71(120)101-53(25-26-64(86)114)69(118)99-50(19-11-28-94-82(87)88)67(116)98-51(20-12-29-95-83(89)90)68(117)108-60(42-133)75(124)102-54(27-34-134-7)78(127)110-31-14-22-61(110)76(125)105-56(36-45(3)4)72(121)104-57(38-48-39-93-43-97-48)73(122)107-59(40-113)74(123)100-52(21-13-30-96-84(91)92)70(119)109-65(46(5)6)80(129)111-32-15-23-62(111)77(126)106-58(37-47-17-9-8-10-18-47)79(128)112-33-16-24-63(112)81(130)131/h8-10,17-18,39,43-46,49-63,65,113,132-133H,11-16,19-38,40-42,85H2,1-7H3,(H2,86,114)(H,93,97)(H,98,116)(H,99,118)(H,100,123)(H,101,120)(H,102,124)(H,103,115)(H,104,121)(H,105,125)(H,106,126)(H,107,122)(H,108,117)(H,109,119)(H,130,131)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)/t49?,50-,51-,52?,53-,54-,55-,56-,57-,58-,59-,60?,61-,62-,63-,65-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...				J Med Chem 59: 2962-72 (2016) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172371 (CHEMBL3809818) Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C69H108N22O16S/c1-39(2)32-47(85-57(96)43(17-9-26-76-68(71)72)82-63(102)52-20-12-29-90(52)65(104)45(18-10-27-77-69(73)74)83-58(97)44-22-23-54(93)80-44)59(98)88-50(37-92)61(100)86-48(34-41-35-75-38-79-41)60(99)81-42(16-7-8-25-70)56(95)78-36-55(94)89-28-11-19-51(89)62(101)84-46(24-31-108-3)66(105)91-30-13-21-53(91)64(103)87-49(67(106)107)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,92H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,99)(H,82,102)(H,83,97)(H,84,101)(H,85,96)(H,86,100)(H,87,103)(H,88,98)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44?,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...				J Med Chem 59: 2962-72 (2016) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172388 (CHEMBL3809291) Show SMILES CSCCC(NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C75H119N25O18S/c1-40(2)33-49(93-67(112)54-20-12-29-98(54)69(114)48(25-32-119-5)91-66(111)53(38-102)95-60(105)45(18-10-27-84-74(78)79)88-59(104)44(17-9-26-83-73(76)77)89-61(106)47-23-24-57(103)87-47)63(108)92-50(35-43-36-82-39-86-43)64(109)96-52(37-101)65(110)90-46(19-11-28-85-75(80)81)62(107)97-58(41(3)4)71(116)99-30-13-21-55(99)68(113)94-51(34-42-15-7-6-8-16-42)70(115)100-31-14-22-56(100)72(117)118/h6-8,15-16,36,39-41,44-56,58,101-102H,9-14,17-35,37-38H2,1-5H3,(H,82,86)(H,87,103)(H,88,104)(H,89,106)(H,90,110)(H,91,111)(H,92,108)(H,93,112)(H,94,113)(H,95,105)(H,96,109)(H,97,107)(H,117,118)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t44-,45-,46?,47?,48-,49-,50-,51-,52-,53?,54-,55-,56-,58-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...				J Med Chem 59: 2962-72 (2016) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50078006 (CHEMBL3417385) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50032698 (CHEMBL3354676 | N-0130) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C33H46N12O5S/c34-20(10-6-16-40-32(36)37)28(48)43-23(14-15-26(35)46)29(49)44-24(18-19-8-2-1-3-9-19)30(50)42-22(12-7-17-41-33(38)39)27(47)31-45-21-11-4-5-13-25(21)51-31/h1-5,8-9,11,13,20,22-24H,6-7,10,12,14-18,34H2,(H2,35,46)(H,42,50)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t20-,22-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...				Citation and Details Article DOI: 10.1038/s41586-022-04661-w BindingDB Entry DOI: 10.7270/Q2NP27M4
					More data for this Ligand-Target Pair
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM50236918 (CHEMBL4081543) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1cscn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C33H40N8O4S2/c1-20(2)28(41-30(44)25(17-22-18-46-19-37-22)38-27(42)15-14-21-9-4-3-5-10-21)31(45)39-24(12-8-16-36-33(34)35)29(43)32-40-23-11-6-7-13-26(23)47-32/h3-7,9-11,13,18-20,24-25,28H,8,12,14-17H2,1-2H3,(H,38,42)(H,39,45)(H,41,44)(H4,34,35,36)/t24-,25-,28-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...				Eur J Med Chem 129: 110-123 (2017) Article DOI: 10.1016/j.ejmech.2017.02.006 BindingDB Entry DOI: 10.7270/Q2GB269P
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032705 (CHEMBL3354682) Show SMILES C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C26H40N10O5S/c1-14(33-24(41)18(13-20(29)37)35-23(40)15(28)7-4-5-11-27)22(39)34-17(9-6-12-32-26(30)31)21(38)25-36-16-8-2-3-10-19(16)42-25/h2-3,8,10,14-15,17-18H,4-7,9,11-13,27-28H2,1H3,(H2,29,37)(H,33,41)(H,34,39)(H,35,40)(H4,30,31,32)/t14-,15-,17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis				J Med Chem 57: 10198-204 (2014) Article DOI: 10.1021/jm5015633 BindingDB Entry DOI: 10.7270/Q2DJ5H73
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50077995 (CHEMBL3417377) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OC)cc1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM525153 (Ac-QFR-kbt | N-0386 | US10988505, Example 3) Show SMILES CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.506	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzymatic assays and Ki determination were performed at room temperature in an assay buffer containing 50 mM Tris-HCl, 150 mM NaCl and 500 μg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X351MD
					More data for this Ligand-Target Pair
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM525153 (Ac-QFR-kbt | N-0386 | US10988505, Example 3) Show SMILES CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...				Citation and Details Article DOI: 10.1038/s41586-022-04661-w BindingDB Entry DOI: 10.7270/Q2NP27M4
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM525256 ((H)Arg-Glu-Phe-Arg-kbt | N-0438) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...				Citation and Details Article DOI: 10.1038/s41586-022-04661-w BindingDB Entry DOI: 10.7270/Q2NP27M4
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172390 (CHEMBL3809537) Show SMILES CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(C)N)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C73H119N25O16S2/c1-39(2)32-48(91-65(108)53-21-13-28-96(53)67(110)47(24-31-116-6)89-64(107)52(37-115)94-59(102)45(19-11-26-83-72(77)78)87-58(101)44(86-57(100)41(5)74)18-10-25-82-71(75)76)61(104)90-49(34-43-35-81-38-85-43)62(105)93-51(36-99)63(106)88-46(20-12-27-84-73(79)80)60(103)95-56(40(3)4)69(112)97-29-14-22-54(97)66(109)92-50(33-42-16-8-7-9-17-42)68(111)98-30-15-23-55(98)70(113)114/h7-9,16-17,35,38-41,44-56,99,115H,10-15,18-34,36-37,74H2,1-6H3,(H,81,85)(H,86,100)(H,87,101)(H,88,106)(H,89,107)(H,90,104)(H,91,108)(H,92,109)(H,93,105)(H,94,102)(H,95,103)(H,113,114)(H4,75,76,82)(H4,77,78,83)(H4,79,80,84)/t41-,44+,45+,46?,47+,48+,49+,50+,51+,52?,53+,54+,55+,56+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...				J Med Chem 59: 2962-72 (2016) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM525152 (Ms-QFR-kbt | N-0385 | US10988505, Example 2) Show SMILES CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...				Citation and Details Article DOI: 10.1038/s41586-022-04661-w BindingDB Entry DOI: 10.7270/Q2NP27M4
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM525153 (Ac-QFR-kbt | N-0386 | US10988505, Example 3) Show SMILES CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...				Citation and Details Article DOI: 10.1038/s41586-022-04661-w BindingDB Entry DOI: 10.7270/Q2NP27M4
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50078001 (CHEMBL3417390) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@](C)(Cc1ccccc1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50313242 (CHEMBL1076603 | [Sar1,Bpa3]AngII) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,wU:4.4,56.58,69.74,20.38,wD:2.2,39.49,73.77,8.17,(34.67,-36.98,;34.66,-38.57,;35.98,-39.34,;37.32,-38.56,;35.98,-40.87,;34.66,-41.63,;33.31,-40.85,;33.31,-39.33,;31.98,-41.61,;31.98,-43.17,;33.31,-43.93,;34.64,-43.18,;35.97,-43.96,;35.95,-45.5,;37.29,-46.29,;34.62,-46.26,;33.3,-45.48,;30.65,-40.84,;29.32,-41.62,;29.32,-43.17,;27.98,-40.84,;27.98,-39.31,;27.19,-37.97,;27.96,-36.62,;27.17,-35.29,;25.62,-35.3,;24.86,-36.66,;25.65,-37.99,;24.84,-33.97,;25.6,-32.63,;23.3,-33.98,;22.53,-32.66,;20.99,-32.67,;20.23,-34.01,;21.02,-35.34,;22.55,-35.32,;26.65,-41.61,;25.31,-40.84,;25.31,-39.31,;23.98,-41.61,;23.98,-43.16,;25.31,-43.92,;25.31,-45.46,;26.65,-46.23,;26.66,-47.77,;27.99,-48.53,;25.32,-48.54,;22.65,-40.82,;21.32,-41.59,;21.32,-43.14,;19.99,-40.83,;18.66,-41.59,;17.33,-40.82,;37.32,-41.64,;37.32,-43.19,;38.64,-40.88,;39.99,-41.65,;41.31,-40.89,;41.31,-39.36,;40.09,-38.45,;40.57,-36.99,;42.11,-37,;42.57,-38.47,;39.99,-43.21,;38.64,-43.98,;41.31,-43.97,;42.89,-43.43,;43.91,-44.76,;42.97,-46.14,;41.57,-45.46,;40.34,-46.39,;38.96,-45.72,;40.46,-47.92,;39.18,-48.77,;37.79,-48.1,;36.52,-48.95,;36.62,-50.49,;35.35,-51.35,;33.97,-50.68,;33.86,-49.14,;35.13,-48.28,;39.28,-50.31,;38.01,-51.17,;40.67,-50.98,)| Show InChI InChI=1S/C60H75N13O11/c1-4-36(2)51(57(81)70-47(32-42-33-64-35-66-42)58(82)73-28-12-18-49(73)56(80)71-48(59(83)84)31-37-13-7-5-8-14-37)72-55(79)46(30-39-21-25-43(74)26-22-39)69-54(78)45(29-38-19-23-41(24-20-38)52(76)40-15-9-6-10-16-40)68-53(77)44(67-50(75)34-63-3)17-11-27-65-60(61)62/h5-10,13-16,19-26,33,35-36,44-49,51,63,74H,4,11-12,17-18,27-32,34H2,1-3H3,(H,64,66)(H,67,75)(H,68,77)(H,69,78)(H,70,81)(H,71,80)(H,72,79)(H,83,84)(H4,61,62,65)/t36-,44-,45-,46-,47-,48-,49-,51-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I][Sar1,Ile8]Ang2 from wild-type human AT1 receptor expressed in CHO cells by gamma counting				J Med Chem 53: 2063-75 (2010) Article DOI: 10.1021/jm9015747 BindingDB Entry DOI: 10.7270/Q2XD11TP
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032700 (CHEMBL3354678) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C28H46N14O4S/c1-15(39-24(46)19(10-6-14-38-28(34)35)41-23(45)16(29)7-4-12-36-26(30)31)22(44)40-18(9-5-13-37-27(32)33)21(43)25-42-17-8-2-3-11-20(17)47-25/h2-3,8,11,15-16,18-19H,4-7,9-10,12-14,29H2,1H3,(H,39,46)(H,40,44)(H,41,45)(H4,30,31,36)(H4,32,33,37)(H4,34,35,38)/t15-,16-,18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis				J Med Chem 57: 10198-204 (2014) Article DOI: 10.1021/jm5015633 BindingDB Entry DOI: 10.7270/Q2DJ5H73
					More data for this Ligand-Target Pair
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM50032697 (CHEMBL3354675) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C33H46N12O6S/c34-20(5-3-15-40-32(36)37)28(49)43-23(13-14-26(35)47)29(50)44-24(17-18-9-11-19(46)12-10-18)30(51)42-22(7-4-16-41-33(38)39)27(48)31-45-21-6-1-2-8-25(21)52-31/h1-2,6,8-12,20,22-24,46H,3-5,7,13-17,34H2,(H2,35,47)(H,42,51)(H,43,49)(H,44,50)(H4,36,37,40)(H4,38,39,41)/t20-,22-,23-,24-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of human recombinant matriptase-2 using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis				J Med Chem 57: 10198-204 (2014) Article DOI: 10.1021/jm5015633 BindingDB Entry DOI: 10.7270/Q2DJ5H73
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50313247 (CHEMBL1076632 | [Sar1,Bpa8]AngII) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(O)=O |r,wU:44.44,57.60,4.4,20.21,wD:2.2,24.32,8.17,61.63,(38.66,-15.79,;38.59,-17.33,;39.9,-18.15,;41.26,-17.44,;39.84,-19.68,;38.49,-20.39,;37.17,-19.56,;37.23,-18.03,;35.82,-20.27,;35.76,-21.82,;37.05,-22.64,;38.41,-21.94,;39.71,-22.77,;39.63,-24.31,;40.93,-25.15,;38.27,-25.02,;36.97,-24.19,;34.51,-19.45,;33.15,-20.17,;33.09,-21.73,;31.84,-19.34,;30.47,-20.06,;29.17,-19.24,;29.23,-17.71,;27.81,-19.95,;27.75,-21.5,;29.05,-22.32,;28.99,-23.86,;30.3,-24.67,;30.24,-26.21,;31.55,-27.03,;28.88,-26.93,;26.52,-19.12,;25.16,-19.84,;25.1,-21.38,;23.85,-19.02,;22.5,-19.73,;21.2,-18.91,;31.9,-17.81,;33.26,-17.1,;30.59,-16.99,;41.15,-20.51,;41.09,-22.06,;42.5,-19.8,;43.86,-20.56,;45.17,-19.78,;45.16,-18.24,;46.4,-17.34,;45.91,-15.88,;44.37,-15.89,;43.91,-17.36,;43.87,-22.12,;42.53,-22.91,;45.21,-22.86,;46.59,-22.21,;47.62,-23.33,;46.89,-24.66,;45.39,-24.37,;44.12,-25.24,;42.77,-24.5,;44.15,-26.78,;45.26,-27.84,;44.88,-29.33,;45.98,-30.41,;45.6,-31.9,;46.71,-32.97,;48.19,-32.55,;48.57,-31.06,;47.47,-29.99,;49.3,-33.63,;50.78,-33.21,;48.92,-35.12,;47.43,-35.53,;47.06,-37.03,;48.16,-38.1,;49.65,-37.68,;50.02,-36.18,;46.74,-27.42,;47.85,-28.5,;47.12,-25.93,)| Show InChI InChI=1S/C56H75N13O11/c1-6-33(4)47(68-50(74)41(26-35-18-22-39(70)23-19-35)64-52(76)46(32(2)3)67-49(73)40(63-45(71)30-59-5)14-10-24-61-56(57)58)53(77)65-42(28-38-29-60-31-62-38)54(78)69-25-11-15-44(69)51(75)66-43(55(79)80)27-34-16-20-37(21-17-34)48(72)36-12-8-7-9-13-36/h7-9,12-13,16-23,29,31-33,40-44,46-47,59,70H,6,10-11,14-15,24-28,30H2,1-5H3,(H,60,62)(H,63,71)(H,64,76)(H,65,77)(H,66,75)(H,67,73)(H,68,74)(H,79,80)(H4,57,58,61)/t33-,40-,41-,42-,43-,44-,46-,47-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I][Sar1,Ile8]Ang2 from wild-type human AT1 receptor expressed in CHO cells by gamma counting				J Med Chem 53: 2063-75 (2010) Article DOI: 10.1021/jm9015747 BindingDB Entry DOI: 10.7270/Q2XD11TP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172375 (CHEMBL3809149) Show SMILES CSCCC(NC(=O)C(C)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C75H119N25O17S/c1-40(2)34-50(94-67(111)54-21-13-30-98(54)69(113)49(26-33-118-6)92-59(103)42(5)87-60(104)45(18-10-27-83-73(76)77)89-61(105)46(19-11-28-84-74(78)79)90-62(106)48-24-25-57(102)88-48)64(108)93-51(36-44-37-82-39-86-44)65(109)96-53(38-101)66(110)91-47(20-12-29-85-75(80)81)63(107)97-58(41(3)4)71(115)99-31-14-22-55(99)68(112)95-52(35-43-16-8-7-9-17-43)70(114)100-32-15-23-56(100)72(116)117/h7-9,16-17,37,39-42,45-56,58,101H,10-15,18-36,38H2,1-6H3,(H,82,86)(H,87,104)(H,88,102)(H,89,105)(H,90,106)(H,91,110)(H,92,103)(H,93,108)(H,94,111)(H,95,112)(H,96,109)(H,97,107)(H,116,117)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t42?,45-,46-,47?,48?,49-,50-,51-,52-,53-,54-,55-,56-,58-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...				J Med Chem 59: 2962-72 (2016) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032710 (CHEMBL3354687) Show SMILES C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C31H43N9O5S/c1-18(37-29(45)24(8-4-5-15-32)39-28(44)21(33)17-19-11-13-20(41)14-12-19)27(43)38-23(9-6-16-36-31(34)35)26(42)30-40-22-7-2-3-10-25(22)46-30/h2-3,7,10-14,18,21,23-24,41H,4-6,8-9,15-17,32-33H2,1H3,(H,37,45)(H,38,43)(H,39,44)(H4,34,35,36)/t18-,21-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis				J Med Chem 57: 10198-204 (2014) Article DOI: 10.1021/jm5015633 BindingDB Entry DOI: 10.7270/Q2DJ5H73
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50313240 (CHEMBL1076633 | [Sar1,Tdf8]AngII) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)C1(N=N1)C(F)(F)F)C(O)=O |r,wU:44.44,57.60,4.4,20.21,wD:2.2,24.32,8.17,61.63,c:74,(7.79,3.66,;7.73,2.12,;9.03,1.3,;10.39,2.02,;8.97,-.22,;7.62,-.93,;6.31,-.11,;6.37,1.42,;4.95,-.81,;4.89,-2.36,;6.19,-3.18,;7.54,-2.48,;8.84,-3.32,;8.76,-4.86,;10.06,-5.69,;7.41,-5.56,;6.11,-4.73,;3.65,0,;2.28,-.72,;2.22,-2.27,;.97,.11,;-.39,-.61,;-1.69,.22,;-1.63,1.75,;-3.05,-.49,;-3.12,-2.04,;-1.82,-2.86,;-1.87,-4.4,;-.57,-5.22,;-.62,-6.75,;.68,-7.57,;-1.98,-7.48,;-4.35,.34,;-5.71,-.38,;-5.77,-1.92,;-7.01,.43,;-8.36,-.28,;-9.67,.55,;1.03,1.64,;2.39,2.36,;-.27,2.46,;10.28,-1.05,;10.22,-2.6,;11.63,-.34,;12.99,-1.1,;14.3,-.33,;14.29,1.21,;15.53,2.12,;15.04,3.58,;13.5,3.57,;13.04,2.1,;13,-2.66,;11.66,-3.45,;14.34,-3.4,;15.72,-2.76,;16.75,-3.87,;16.02,-5.2,;14.52,-4.91,;13.25,-5.78,;11.9,-5.04,;13.28,-7.32,;14.39,-8.38,;14.01,-9.87,;15.11,-10.95,;14.73,-12.44,;15.84,-13.51,;17.32,-13.09,;17.7,-11.6,;16.6,-10.53,;18.43,-14.17,;18.85,-15.65,;19.92,-14.54,;19.76,-13.38,;21.1,-14.14,;19.74,-11.84,;20.85,-12.29,;15.87,-7.97,;16.97,-9.04,;16.25,-6.48,)| Show InChI InChI=1S/C51H70F3N15O10/c1-6-28(4)41(66-43(73)35(21-30-13-17-33(70)18-14-30)62-45(75)40(27(2)3)65-42(72)34(61-39(71)25-57-5)9-7-19-59-49(55)56)46(76)63-36(23-32-24-58-26-60-32)47(77)69-20-8-10-38(69)44(74)64-37(48(78)79)22-29-11-15-31(16-12-29)50(67-68-50)51(52,53)54/h11-18,24,26-28,34-38,40-41,57,70H,6-10,19-23,25H2,1-5H3,(H,58,60)(H,61,71)(H,62,75)(H,63,76)(H,64,74)(H,65,72)(H,66,73)(H,78,79)(H4,55,56,59)/t28-,34-,35-,36-,37-,38-,40-,41-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I][Sar1,Ile8]Ang2 from wild-type human AT1 receptor expressed in CHO cells by gamma counting				J Med Chem 53: 2063-75 (2010) Article DOI: 10.1021/jm9015747 BindingDB Entry DOI: 10.7270/Q2XD11TP
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032704 (CHEMBL3354681) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C28H42N12O5S/c29-15(6-3-11-35-27(31)32)23(43)38-18(14-21(30)41)26(45)40-13-5-9-19(40)24(44)37-17(8-4-12-36-28(33)34)22(42)25-39-16-7-1-2-10-20(16)46-25/h1-2,7,10,15,17-19H,3-6,8-9,11-14,29H2,(H2,30,41)(H,37,44)(H,38,43)(H4,31,32,35)(H4,33,34,36)/t15-,17-,18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis				J Med Chem 57: 10198-204 (2014) Article DOI: 10.1021/jm5015633 BindingDB Entry DOI: 10.7270/Q2DJ5H73
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172366 (CHEMBL3809739) Show SMILES CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C75H119N25O17S2/c1-40(2)33-49(93-67(111)54-20-12-29-98(54)69(113)48(25-32-119-5)91-66(110)53(38-118)96-60(104)45(18-10-27-84-74(78)79)88-59(103)44(17-9-26-83-73(76)77)89-61(105)47-23-24-57(102)87-47)63(107)92-50(35-43-36-82-39-86-43)64(108)95-52(37-101)65(109)90-46(19-11-28-85-75(80)81)62(106)97-58(41(3)4)71(115)99-30-13-21-55(99)68(112)94-51(34-42-15-7-6-8-16-42)70(114)100-31-14-22-56(100)72(116)117/h6-8,15-16,36,39-41,44-56,58,101,118H,9-14,17-35,37-38H2,1-5H3,(H,82,86)(H,87,102)(H,88,103)(H,89,105)(H,90,109)(H,91,110)(H,92,107)(H,93,111)(H,94,112)(H,95,108)(H,96,104)(H,97,106)(H,116,117)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t44-,45-,46?,47-,48-,49-,50-,51-,52-,53?,54-,55-,56-,58-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...				J Med Chem 59: 2962-72 (2016) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50014619 (CHEMBL3184840) Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C69H108N22O16S/c1-39(2)32-47(85-57(96)43(17-9-26-76-68(71)72)82-63(102)52-20-12-29-90(52)65(104)45(18-10-27-77-69(73)74)83-58(97)44-22-23-54(93)80-44)59(98)88-50(37-92)61(100)86-48(34-41-35-75-38-79-41)60(99)81-42(16-7-8-25-70)56(95)78-36-55(94)89-28-11-19-51(89)62(101)84-46(24-31-108-3)66(105)91-30-13-21-53(91)64(103)87-49(67(106)107)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,92H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,99)(H,82,102)(H,83,97)(H,84,101)(H,85,96)(H,86,100)(H,87,103)(H,88,98)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM50032706 (CHEMBL3354683) Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C36H41N9O5S2/c37-24(17-21-18-41-25-7-2-1-6-23(21)25)32(48)44-29(19-51)34(50)43-28(16-20-11-13-22(46)14-12-20)33(49)42-27(9-5-15-40-36(38)39)31(47)35-45-26-8-3-4-10-30(26)52-35/h1-4,6-8,10-14,18,24,27-29,41,46,51H,5,9,15-17,19,37H2,(H,42,49)(H,43,50)(H,44,48)(H4,38,39,40)/t24-,27-,28-,29-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of human recombinant matriptase-2 using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis				J Med Chem 57: 10198-204 (2014) Article DOI: 10.1021/jm5015633 BindingDB Entry DOI: 10.7270/Q2DJ5H73
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50077993 (CHEMBL3417379) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccncc1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50420334 (CHEMBL2086421) Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C27H42N12O5S/c1-14(36-24(44)18(10-11-20(29)40)38-23(43)15(28)6-4-12-34-26(30)31)22(42)37-17(8-5-13-35-27(32)33)21(41)25-39-16-7-2-3-9-19(16)45-25/h2-3,7,9,14-15,17-18H,4-6,8,10-13,28H2,1H3,(H2,29,40)(H,36,44)(H,37,42)(H,38,43)(H4,30,31,34)(H4,32,33,35)/t14-,15-,17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tight binding inhibition of human hepsin expressed in Drosophila melanogaster S2 cells using Boc-QAR-AMC as substrate incubated for 15 mins prior to ...				ACS Med Chem Lett 3: 530-534 (2012) Article DOI: 10.1021/ml3000534 BindingDB Entry DOI: 10.7270/Q2DN469X
					More data for this Ligand-Target Pair
Transmembrane protease serine 6 (Homo sapiens (Human))	BDBM50236924 (CHEMBL4093487) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C40H44N8O7S/c41-29(20-23-7-13-26(49)14-8-23)36(53)46-32(21-24-9-15-27(50)16-10-24)38(55)47-33(22-25-11-17-28(51)18-12-25)37(54)45-31(5-3-19-44-40(42)43)35(52)39-48-30-4-1-2-6-34(30)56-39/h1-2,4,6-18,29,31-33,49-51H,3,5,19-22,41H2,(H,45,54)(H,46,53)(H,47,55)(H4,42,43,44)/t29-,31-,32-,33-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibitory concentration against alpha-L-Fucosidase of human placenta				Eur J Med Chem 129: 110-123 (2017) Article DOI: 10.1016/j.ejmech.2017.02.006 BindingDB Entry DOI: 10.7270/Q2GB269P
					More data for this Ligand-Target Pair

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