Compile Data Set for Download or QSAR

Found 142 hits with Last Name = 'wildman' and Initial = 'sa'   

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 (Homo sapiens (Human))	BDBM50063698 (4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay				Bioorg Med Chem 23: 2328-43 (2015) Article DOI: 10.1016/j.bmc.2015.03.072 BindingDB Entry DOI: 10.7270/Q23F4RB4
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50063698 (4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10597 ((1S)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0^{...) Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:2,TLB:11:9:5:3.2.7,19:8:5:3.2.7| Show InChI InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0260	-60.4	n/a	n/a	n/a	n/a	n/a	7.0	25
Mayo Clinic College of Medicine					Assay Description Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...				Biochemistry 52: 7486-99 (2013) Article DOI: 10.1021/bi401043w BindingDB Entry DOI: 10.7270/Q24X56GT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50262988 (CHEMBL1200541 | N-(2-chlorobenzyl)-2-(2-(2-((2-chl...) Show SMILES CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl Show InChI InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	0.120	-56.6	n/a	n/a	n/a	n/a	n/a	7.0	25
Mayo Clinic College of Medicine					Assay Description Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...				Biochemistry 52: 7486-99 (2013) Article DOI: 10.1021/bi401043w BindingDB Entry DOI: 10.7270/Q24X56GT
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50032999 (CHEMBL3356597) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C34H50N12O5S/c1-19(2)16-26(30(50)44-24(10-6-12-40-33(35)36)28(48)32-39-14-15-52-32)46-29(49)25(11-7-13-41-34(37)38)45-31(51)27(43-20(3)47)17-21-18-42-23-9-5-4-8-22(21)23/h4-5,8-9,14-15,18-19,24-27,42H,6-7,10-13,16-17H2,1-3H3,(H,43,47)(H,44,50)(H,45,51)(H,46,49)(H4,35,36,40)(H4,37,38,41)/t24-,25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50032934 (CHEMBL3356591) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50032936 (CHEMBL3356589) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C28H48N10O6S/c1-16(2)15-21(26(44)36-18(8-6-12-34-28(31)32)23(41)27-33-13-14-45-27)38-25(43)20(9-10-22(30)40)37-24(42)19(35-17(3)39)7-4-5-11-29/h13-14,16,18-21H,4-12,15,29H2,1-3H3,(H2,30,40)(H,35,39)(H,36,44)(H,37,42)(H,38,43)(H4,31,32,34)/t18-,19-,20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50032931 (CHEMBL3356594) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C28H48N12O6S/c1-15(2)14-20(25(46)38-17(6-4-10-35-27(30)31)22(43)26-34-12-13-47-26)40-24(45)19(8-9-21(29)42)39-23(44)18(37-16(3)41)7-5-11-36-28(32)33/h12-13,15,17-20H,4-11,14H2,1-3H3,(H2,29,42)(H,37,41)(H,38,46)(H,39,44)(H,40,45)(H4,30,31,35)(H4,32,33,36)/t17-,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	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032931 (CHEMBL3356594) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C28H48N12O6S/c1-15(2)14-20(25(46)38-17(6-4-10-35-27(30)31)22(43)26-34-12-13-47-26)40-24(45)19(8-9-21(29)42)39-23(44)18(37-16(3)41)7-5-11-36-28(32)33/h12-13,15,17-20H,4-11,14H2,1-3H3,(H2,29,42)(H,37,41)(H,38,46)(H,39,44)(H,40,45)(H4,30,31,35)(H4,32,33,36)/t17-,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	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50032930 (CHEMBL3356595) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C25H41N9O7S/c1-13(2)11-17(22(40)32-15(5-4-8-30-25(27)28)20(38)24-29-9-10-42-24)34-21(39)16(6-7-19(26)37)33-23(41)18(12-35)31-14(3)36/h9-10,13,15-18,35H,4-8,11-12H2,1-3H3,(H2,26,37)(H,31,36)(H,32,40)(H,33,41)(H,34,39)(H4,27,28,30)/t15-,16-,17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50032935 (CHEMBL3356590) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50032947 (CHEMBL3356606) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C29H52N12O5S/c1-17(2)16-22(26(46)39-19(9-6-12-36-28(31)32)23(43)27-35-14-15-47-27)41-25(45)21(8-4-5-11-30)40-24(44)20(38-18(3)42)10-7-13-37-29(33)34/h14-15,17,19-22H,4-13,16,30H2,1-3H3,(H,38,42)(H,39,46)(H,40,44)(H,41,45)(H4,31,32,36)(H4,33,34,37)/t19-,20-,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50063698 (4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay				Bioorg Med Chem 23: 2328-43 (2015) Article DOI: 10.1016/j.bmc.2015.03.072 BindingDB Entry DOI: 10.7270/Q23F4RB4
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50063698 (4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50032941 (CHEMBL3356600) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50032991 (CHEMBL3356596) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C29H52N12O5S/c1-17(2)16-22(26(46)39-19(9-6-12-36-28(31)32)23(43)27-35-14-15-47-27)41-25(45)21(10-7-13-37-29(33)34)40-24(44)20(38-18(3)42)8-4-5-11-30/h14-15,17,19-22H,4-13,16,30H2,1-3H3,(H,38,42)(H,39,46)(H,40,44)(H,41,45)(H4,31,32,36)(H4,33,34,37)/t19-,20-,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50032933 (CHEMBL3356592) Show SMILES CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C31H46N10O6S/c1-19(42)38-22(10-5-6-14-32)27(45)40-23(12-13-25(33)43)28(46)41-24(18-20-8-3-2-4-9-20)29(47)39-21(11-7-15-37-31(34)35)26(44)30-36-16-17-48-30/h2-4,8-9,16-17,21-24H,5-7,10-15,18,32H2,1H3,(H2,33,43)(H,38,42)(H,39,47)(H,40,45)(H,41,46)(H4,34,35,37)/t21-,22-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50032940 (CHEMBL3356599) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50032945 (CHEMBL3356604) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C27H47N9O6S/c1-15(2)14-20(24(41)34-18(9-7-11-32-27(29)30)22(39)26-31-12-13-43-26)36-23(40)19(8-5-6-10-28)35-25(42)21(16(3)37)33-17(4)38/h12-13,15-16,18-21,37H,5-11,14,28H2,1-4H3,(H,33,38)(H,34,41)(H,35,42)(H,36,40)(H4,29,30,32)/t16-,18+,19+,20+,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50032944 (CHEMBL3356603) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C26H45N11O6S/c1-14(2)12-18(22(42)35-16(6-4-8-32-25(27)28)20(40)24-31-10-11-44-24)37-21(41)17(7-5-9-33-26(29)30)36-23(43)19(13-38)34-15(3)39/h10-11,14,16-19,38H,4-9,12-13H2,1-3H3,(H,34,39)(H,35,42)(H,36,43)(H,37,41)(H4,27,28,32)(H4,29,30,33)/t16-,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	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032933 (CHEMBL3356592) Show SMILES CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C31H46N10O6S/c1-19(42)38-22(10-5-6-14-32)27(45)40-23(12-13-25(33)43)28(46)41-24(18-20-8-3-2-4-9-20)29(47)39-21(11-7-15-37-31(34)35)26(44)30-36-16-17-48-30/h2-4,8-9,16-17,21-24H,5-7,10-15,18,32H2,1H3,(H2,33,43)(H,38,42)(H,39,47)(H,40,45)(H,41,46)(H4,34,35,37)/t21-,22-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032947 (CHEMBL3356606) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C29H52N12O5S/c1-17(2)16-22(26(46)39-19(9-6-12-36-28(31)32)23(43)27-35-14-15-47-27)41-25(45)21(8-4-5-11-30)40-24(44)20(38-18(3)42)10-7-13-37-29(33)34/h14-15,17,19-22H,4-13,16,30H2,1-3H3,(H,38,42)(H,39,46)(H,40,44)(H,41,45)(H4,31,32,36)(H4,33,34,37)/t19-,20-,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032936 (CHEMBL3356589) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C28H48N10O6S/c1-16(2)15-21(26(44)36-18(8-6-12-34-28(31)32)23(41)27-33-13-14-45-27)38-25(43)20(9-10-22(30)40)37-24(42)19(35-17(3)39)7-4-5-11-29/h13-14,16,18-21H,4-12,15,29H2,1-3H3,(H2,30,40)(H,35,39)(H,36,44)(H,37,42)(H,38,43)(H4,31,32,34)/t18-,19-,20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032991 (CHEMBL3356596) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C29H52N12O5S/c1-17(2)16-22(26(46)39-19(9-6-12-36-28(31)32)23(43)27-35-14-15-47-27)41-25(45)21(10-7-13-37-29(33)34)40-24(44)20(38-18(3)42)8-4-5-11-30/h14-15,17,19-22H,4-13,16,30H2,1-3H3,(H,38,42)(H,39,46)(H,40,44)(H,41,45)(H4,31,32,36)(H4,33,34,37)/t19-,20-,21-,22-/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
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50032939 (CHEMBL3356598) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C26H45N9O6S/c1-15(2)13-19(23(40)33-17(8-6-10-31-26(28)29)21(38)25-30-11-12-42-25)35-22(39)18(7-4-5-9-27)34-24(41)20(14-36)32-16(3)37/h11-12,15,17-20,36H,4-10,13-14,27H2,1-3H3,(H,32,37)(H,33,40)(H,34,41)(H,35,39)(H4,28,29,31)/t17-,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	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50032946 (CHEMBL3356605) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50032943 (CHEMBL3356602) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C27H46N10O6S/c1-15(2)13-19(24(42)35-17(8-6-10-33-27(30)31)22(40)26-32-11-12-44-26)37-23(41)18(7-4-5-9-28)36-25(43)20(14-21(29)39)34-16(3)38/h11-12,15,17-20H,4-10,13-14,28H2,1-3H3,(H2,29,39)(H,34,38)(H,35,42)(H,36,43)(H,37,41)(H4,30,31,33)/t17-,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	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50089616 (4a,12a-Dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-t...) Show SMILES COc1cc(cc(OC)c1OC)-c1cc2O[C@]3(C)CC[C@@]4(O)C(C)(C)C=CC(=O)[C@]4(C)[C@@]3(O)Cc2c(=O)o1 |r,c:26| Show InChI InChI=1S/C29H34O9/c1-25(2)9-8-22(30)27(4)28(25,32)11-10-26(3)29(27,33)15-17-19(38-26)14-18(37-24(17)31)16-12-20(34-5)23(36-7)21(13-16)35-6/h8-9,12-14,32-33H,10-11,15H2,1-7H3/t26-,27+,28-,29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.70	-50.1	n/a	n/a	n/a	n/a	n/a	7.0	25
Mayo Clinic College of Medicine					Assay Description Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...				Biochemistry 52: 7486-99 (2013) Article DOI: 10.1021/bi401043w BindingDB Entry DOI: 10.7270/Q24X56GT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine protease hepsin (Homo sapiens (Human))	BDBM50032932 (CHEMBL3356593) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C32H49N9O5S/c1-20(2)18-25(29(45)39-23(13-9-15-37-32(34)35)27(43)31-36-16-17-47-31)40-30(46)26(19-22-10-5-4-6-11-22)41-28(44)24(38-21(3)42)12-7-8-14-33/h4-6,10-11,16-17,20,23-26H,7-9,12-15,18-19,33H2,1-3H3,(H,38,42)(H,39,45)(H,40,46)(H,41,44)(H4,34,35,37)/t23-,24-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032942 (CHEMBL3356601) Show SMILES CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C29H43N9O6S/c1-18(40)35-23(17-39)27(44)37-21(10-5-6-12-30)25(42)38-22(16-19-8-3-2-4-9-19)26(43)36-20(11-7-13-34-29(31)32)24(41)28-33-14-15-45-28/h2-4,8-9,14-15,20-23,39H,5-7,10-13,16-17,30H2,1H3,(H,35,40)(H,36,43)(H,37,44)(H,38,42)(H4,31,32,34)/t20-,21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23887 (3-amidinophenylalanine deriv., 31 | 4-({4-[(2S)-3-...) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(N)=N |r| Show InChI InChI=1S/C36H54N8O4S/c1-22(2)28-20-29(23(3)4)32(30(21-28)24(5)6)49(47,48)41-31(19-25-8-7-9-27(18-25)33(37)38)35(46)43-16-14-42(15-17-43)34(45)26-10-12-44(13-11-26)36(39)40/h7-9,18,20-24,26,31,41H,10-17,19H2,1-6H3,(H3,37,38)(H3,39,40)/t31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay				Bioorg Med Chem 23: 2328-43 (2015) Article DOI: 10.1016/j.bmc.2015.03.072 BindingDB Entry DOI: 10.7270/Q23F4RB4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM10441 ((+)-Huperzine A | (+/-)Huperzine A | (-)-Huperzine...) Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2 |c:18,TLB:10:11:2:17.15.14,THB:1:2:4.5.11:17.15.14| Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	4.60	-47.6	n/a	n/a	n/a	n/a	n/a	7.0	25
Mayo Clinic College of Medicine					Assay Description Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...				Biochemistry 52: 7486-99 (2013) Article DOI: 10.1021/bi401043w BindingDB Entry DOI: 10.7270/Q24X56GT
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032999 (CHEMBL3356597) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C34H50N12O5S/c1-19(2)16-26(30(50)44-24(10-6-12-40-33(35)36)28(48)32-39-14-15-52-32)46-29(49)25(11-7-13-41-34(37)38)45-31(51)27(43-20(3)47)17-21-18-42-23-9-5-4-8-22(21)23/h4-5,8-9,14-15,18-19,24-27,42H,6-7,10-13,16-17H2,1-3H3,(H,43,47)(H,44,50)(H,45,51)(H,46,49)(H4,35,36,40)(H4,37,38,41)/t24-,25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032944 (CHEMBL3356603) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C26H45N11O6S/c1-14(2)12-18(22(42)35-16(6-4-8-32-25(27)28)20(40)24-31-10-11-44-24)37-21(41)17(7-5-9-33-26(29)30)36-23(43)19(13-38)34-15(3)39/h10-11,14,16-19,38H,4-9,12-13H2,1-3H3,(H,34,39)(H,35,42)(H,36,43)(H,37,41)(H4,27,28,32)(H4,29,30,33)/t16-,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	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50032942 (CHEMBL3356601) Show SMILES CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C29H43N9O6S/c1-18(40)35-23(17-39)27(44)37-21(10-5-6-12-30)25(42)38-22(16-19-8-3-2-4-9-19)26(43)36-20(11-7-13-34-29(31)32)24(41)28-33-14-15-45-28/h2-4,8-9,14-15,20-23,39H,5-7,10-13,16-17,30H2,1H3,(H,35,40)(H,36,43)(H,37,44)(H,38,42)(H4,31,32,34)/t20-,21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032941 (CHEMBL3356600) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032945 (CHEMBL3356604) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C27H47N9O6S/c1-15(2)14-20(24(41)34-18(9-7-11-32-27(29)30)22(39)26-31-12-13-43-26)36-23(40)19(8-5-6-10-28)35-25(42)21(16(3)37)33-17(4)38/h12-13,15-16,18-21,37H,5-11,14,28H2,1-4H3,(H,33,38)(H,34,41)(H,35,42)(H,36,40)(H4,29,30,32)/t16-,18+,19+,20+,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032930 (CHEMBL3356595) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C25H41N9O7S/c1-13(2)11-17(22(40)32-15(5-4-8-30-25(27)28)20(38)24-29-9-10-42-24)34-21(39)16(6-7-19(26)37)33-23(41)18(12-35)31-14(3)36/h9-10,13,15-18,35H,4-8,11-12H2,1-3H3,(H2,26,37)(H,31,36)(H,32,40)(H,33,41)(H,34,39)(H4,27,28,30)/t15-,16-,17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032943 (CHEMBL3356602) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C27H46N10O6S/c1-15(2)13-19(24(42)35-17(8-6-10-33-27(30)31)22(40)26-32-11-12-44-26)37-23(41)18(7-4-5-9-28)36-25(43)20(14-21(29)39)34-16(3)38/h11-12,15,17-20H,4-10,13-14,28H2,1-3H3,(H2,29,39)(H,34,38)(H,35,42)(H,36,43)(H,37,41)(H4,30,31,33)/t17-,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	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Hepatocyte growth factor activator (Homo sapiens (Human))	BDBM50032991 (CHEMBL3356596) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C29H52N12O5S/c1-17(2)16-22(26(46)39-19(9-6-12-36-28(31)32)23(43)27-35-14-15-47-27)41-25(45)21(10-7-13-37-29(33)34)40-24(44)20(38-18(3)42)8-4-5-11-30/h14-15,17,19-22H,4-13,16,30H2,1-3H3,(H,38,42)(H,39,46)(H,40,44)(H,41,45)(H4,31,32,36)(H4,33,34,37)/t19-,20-,21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant HGFA (unknown origin) using Boc-QLR-AMC as substrate by chromogenic proteolytic assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032932 (CHEMBL3356593) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C32H49N9O5S/c1-20(2)18-25(29(45)39-23(13-9-15-37-32(34)35)27(43)31-36-16-17-47-31)40-30(46)26(19-22-10-5-4-6-11-22)41-28(44)24(38-21(3)42)12-7-8-14-33/h4-6,10-11,16-17,20,23-26H,7-9,12-15,18-19,33H2,1-3H3,(H,38,42)(H,39,45)(H,40,46)(H,41,44)(H4,34,35,37)/t23-,24-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Hepatocyte growth factor activator (Homo sapiens (Human))	BDBM50032947 (CHEMBL3356606) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C29H52N12O5S/c1-17(2)16-22(26(46)39-19(9-6-12-36-28(31)32)23(43)27-35-14-15-47-27)41-25(45)21(8-4-5-11-30)40-24(44)20(38-18(3)42)10-7-13-37-29(33)34/h14-15,17,19-22H,4-13,16,30H2,1-3H3,(H,38,42)(H,39,46)(H,40,44)(H,41,45)(H4,31,32,36)(H4,33,34,37)/t19-,20-,21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant HGFA (unknown origin) using Boc-QLR-AMC as substrate by chromogenic proteolytic assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	18	-44.2	n/a	n/a	n/a	n/a	n/a	7.0	25
Mayo Clinic College of Medicine					Assay Description Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...				Biochemistry 52: 7486-99 (2013) Article DOI: 10.1021/bi401043w BindingDB Entry DOI: 10.7270/Q24X56GT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hepatocyte growth factor activator (Homo sapiens (Human))	BDBM50032999 (CHEMBL3356597) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C34H50N12O5S/c1-19(2)16-26(30(50)44-24(10-6-12-40-33(35)36)28(48)32-39-14-15-52-32)46-29(49)25(11-7-13-41-34(37)38)45-31(51)27(43-20(3)47)17-21-18-42-23-9-5-4-8-22(21)23/h4-5,8-9,14-15,18-19,24-27,42H,6-7,10-13,16-17H2,1-3H3,(H,43,47)(H,44,50)(H,45,51)(H,46,49)(H4,35,36,40)(H4,37,38,41)/t24-,25-,26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant HGFA (unknown origin) using Boc-QLR-AMC as substrate by chromogenic proteolytic assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032935 (CHEMBL3356590) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Hepatocyte growth factor activator (Homo sapiens (Human))	BDBM50032944 (CHEMBL3356603) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C26H45N11O6S/c1-14(2)12-18(22(42)35-16(6-4-8-32-25(27)28)20(40)24-31-10-11-44-24)37-21(41)17(7-5-9-33-26(29)30)36-23(43)19(13-38)34-15(3)39/h10-11,14,16-19,38H,4-9,12-13H2,1-3H3,(H,34,39)(H,35,42)(H,36,43)(H,37,41)(H4,27,28,32)(H4,29,30,33)/t16-,17-,18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant HGFA (unknown origin) using Boc-QLR-AMC as substrate by chromogenic proteolytic assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Hepatocyte growth factor activator (Homo sapiens (Human))	BDBM50063698 (4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells using Boc-QLR-AMC as substrate incu...				Bioorg Med Chem 23: 2328-43 (2015) Article DOI: 10.1016/j.bmc.2015.03.072 BindingDB Entry DOI: 10.7270/Q23F4RB4
					More data for this Ligand-Target Pair
Hepatocyte growth factor activator (Homo sapiens (Human))	BDBM50063698 (4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant HGFA (unknown origin) using Boc-QLR-AMC as substrate by chromogenic proteolytic assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50032934 (CHEMBL3356591) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50069115 (CHEMBL3403531) Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)NCc2ccc(Br)cc2)c1 |r| Show InChI InChI=1S/C32H33BrN6O4S/c33-27-11-8-22(9-12-27)21-36-32(41)39-16-14-38(15-17-39)31(40)29(19-23-4-3-7-26(18-23)30(34)35)37-44(42,43)28-13-10-24-5-1-2-6-25(24)20-28/h1-13,18,20,29,37H,14-17,19,21H2,(H3,34,35)(H,36,41)/t29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay				Bioorg Med Chem 23: 2328-43 (2015) Article DOI: 10.1016/j.bmc.2015.03.072 BindingDB Entry DOI: 10.7270/Q23F4RB4
					More data for this Ligand-Target Pair

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