Compile Data Set for Download or QSAR

Found 97 hits of ic50 data for polymerid = 1553   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine protease hepsin (Homo sapiens (Human))	BDBM50580332 (CHEMBL5081575) Show SMILES CC(=O)N[C@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)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	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal 10-His tagged hepsin (Arg45 to Leu417) expressed in mouse myeloma cells using Boc-QAR-AMC as substrate pre...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01671 BindingDB Entry DOI: 10.7270/Q2BZ69XG
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50580346 (CHEMBL5074750) 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)c1nc2ccc(cc2s1)C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal 10-His tagged hepsin (Arg45 to Leu417) expressed in mouse myeloma cells using Boc-QAR-AMC as substrate pre...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01671 BindingDB Entry DOI: 10.7270/Q2BZ69XG
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50580331 (CHEMBL5083517) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1)NC(C)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal 10-His tagged hepsin (Arg45 to Leu417) expressed in mouse myeloma cells using Boc-QAR-AMC as substrate pre...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01671 BindingDB Entry DOI: 10.7270/Q2BZ69XG
					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	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50580335 (CHEMBL5092327) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccc(N[C@@H](C(C)C)C(N)=O)cc2s1)NC(C)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal 10-His tagged hepsin (Arg45 to Leu417) expressed in mouse myeloma cells using Boc-QAR-AMC as substrate pre...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01671 BindingDB Entry DOI: 10.7270/Q2BZ69XG
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50580342 (CHEMBL5088958) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1)NC(C)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal 10-His tagged hepsin (Arg45 to Leu417) expressed in mouse myeloma cells using Boc-QAR-AMC as substrate pre...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01671 BindingDB Entry DOI: 10.7270/Q2BZ69XG
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50580343 (CHEMBL5086585) Show SMILES CSCC[C@@H]1NC(=O)[C@H](CC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1)NC(C)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal 10-His tagged hepsin (Arg45 to Leu417) expressed in mouse myeloma cells using Boc-QAR-AMC as substrate pre...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01671 BindingDB Entry DOI: 10.7270/Q2BZ69XG
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50580337 (CHEMBL5081090) Show SMILES CC(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)CNC1=O)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	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal 10-His tagged hepsin (Arg45 to Leu417) expressed in mouse myeloma cells using Boc-QAR-AMC as substrate pre...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01671 BindingDB Entry DOI: 10.7270/Q2BZ69XG
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50580339 (CHEMBL5084226) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1)NC(C)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal 10-His tagged hepsin (Arg45 to Leu417) expressed in mouse myeloma cells using Boc-QAR-AMC as substrate pre...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01671 BindingDB Entry DOI: 10.7270/Q2BZ69XG
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50580334 (CHEMBL5081335) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)NCCCCC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1)NC(C)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal 10-His tagged hepsin (Arg45 to Leu417) expressed in mouse myeloma cells using Boc-QAR-AMC as substrate pre...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01671 BindingDB Entry DOI: 10.7270/Q2BZ69XG
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50580338 (CHEMBL5077855) Show SMILES C[C@@H]1NC(=O)[C@H](CC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1)NC(C)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal 10-His tagged hepsin (Arg45 to Leu417) expressed in mouse myeloma cells using Boc-QAR-AMC as substrate pre...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01671 BindingDB Entry DOI: 10.7270/Q2BZ69XG
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50580340 (CHEMBL5078472) Show SMILES CC(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)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	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal 10-His tagged hepsin (Arg45 to Leu417) expressed in mouse myeloma cells using Boc-QAR-AMC as substrate pre...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01671 BindingDB Entry DOI: 10.7270/Q2BZ69XG
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50580333 (CHEMBL5081508) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1)NC(C)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal 10-His tagged hepsin (Arg45 to Leu417) expressed in mouse myeloma cells using Boc-QAR-AMC as substrate pre...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01671 BindingDB Entry DOI: 10.7270/Q2BZ69XG
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50580347 (CHEMBL5091091) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)N(C)CCCC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1)NC(C)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal 10-His tagged hepsin (Arg45 to Leu417) expressed in mouse myeloma cells using Boc-QAR-AMC as substrate pre...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01671 BindingDB Entry DOI: 10.7270/Q2BZ69XG
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50580344 (CHEMBL5075134) Show SMILES CC(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)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	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal 10-His tagged hepsin (Arg45 to Leu417) expressed in mouse myeloma cells using Boc-QAR-AMC as substrate pre...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01671 BindingDB Entry DOI: 10.7270/Q2BZ69XG
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50272185 (CHEMBL4129836) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](C(=O)Nc1ccc(cc1)C(N)=N)c1ccccc1 |r| Show InChI InChI=1S/C22H22N4O3S/c1-15-7-13-19(14-8-15)30(28,29)26-20(16-5-3-2-4-6-16)22(27)25-18-11-9-17(10-12-18)21(23)24/h2-14,20,26H,1H3,(H3,23,24)(H,25,27)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50580341 (CHEMBL5091578) Show SMILES CC(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC1=O)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	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal 10-His tagged hepsin (Arg45 to Leu417) expressed in mouse myeloma cells using Boc-QAR-AMC as substrate pre...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01671 BindingDB Entry DOI: 10.7270/Q2BZ69XG
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50580330 (CHEMBL5075263) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)C[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1)NC(C)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal 10-His tagged hepsin (Arg45 to Leu417) expressed in mouse myeloma cells using Boc-QAR-AMC as substrate pre...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01671 BindingDB Entry DOI: 10.7270/Q2BZ69XG
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50424712 (CAMOSTAT | Camostat Mesilate | Foipan) Show SMILES [#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1 Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50272310 (CHEMBL4130135) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H](C1CCCCC1)C(=O)Nc1ccc(cc1)C(N)=N |r| Show InChI InChI=1S/C22H28N4O3S/c1-15-7-13-19(14-8-15)30(28,29)26-20(16-5-3-2-4-6-16)22(27)25-18-11-9-17(10-12-18)21(23)24/h7-14,16,20,26H,2-6H2,1H3,(H3,23,24)(H,25,27)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50272310 (CHEMBL4130135) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H](C1CCCCC1)C(=O)Nc1ccc(cc1)C(N)=N |r| Show InChI InChI=1S/C22H28N4O3S/c1-15-7-13-19(14-8-15)30(28,29)26-20(16-5-3-2-4-6-16)22(27)25-18-11-9-17(10-12-18)21(23)24/h7-14,16,20,26H,2-6H2,1H3,(H3,23,24)(H,25,27)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50580345 (CHEMBL5081851) Show SMILES CC(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)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	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal 10-His tagged hepsin (Arg45 to Leu417) expressed in mouse myeloma cells using Boc-QAR-AMC as substrate pre...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01671 BindingDB Entry DOI: 10.7270/Q2BZ69XG
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50272187 (CHEMBL4128554) Show SMILES NC(=N)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(F)cc2)C2CCCCC2)cc1 |r| Show InChI InChI=1S/C21H25FN4O3S/c22-16-8-12-18(13-9-16)30(28,29)26-19(14-4-2-1-3-5-14)21(27)25-17-10-6-15(7-11-17)20(23)24/h6-14,19,26H,1-5H2,(H3,23,24)(H,25,27)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50518596 (CHEMBL4463174) Show SMILES NC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C32H33N7O5S/c33-27(40)16-25(39-32(43)44-17-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22)29(42)37-24(13-7-15-36-31(34)35)28(41)30-38-23-12-5-6-14-26(23)45-30/h1-6,8-12,14,22,24-25H,7,13,15-17H2,(H2,33,40)(H,37,42)(H,39,43)(H4,34,35,36)/t24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	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) expressed in MCF10A cells preincubated for 30 mins followed by Boc-QAR-AMC substrate addition and measured for ...				J Med Chem 62: 480-490 (2019) Article DOI: 10.1021/acs.jmedchem.8b01536 BindingDB Entry DOI: 10.7270/Q2D50RBN
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50272185 (CHEMBL4129836) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](C(=O)Nc1ccc(cc1)C(N)=N)c1ccccc1 |r| Show InChI InChI=1S/C22H22N4O3S/c1-15-7-13-19(14-8-15)30(28,29)26-20(16-5-3-2-4-6-16)22(27)25-18-11-9-17(10-12-18)21(23)24/h2-14,20,26H,1H3,(H3,23,24)(H,25,27)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of doxycycline induced Hepsin in human MCF10A cells using Boc-QRR-AMC as substrate preincubated for 24 hrs followed by doxycycline inducti...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50272184 (CHEMBL4126579) Show SMILES NC(=N)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C2CCCCC2)cc1 |r| Show InChI InChI=1S/C21H25ClN4O3S/c22-16-8-12-18(13-9-16)30(28,29)26-19(14-4-2-1-3-5-14)21(27)25-17-10-6-15(7-11-17)20(23)24/h6-14,19,26H,1-5H2,(H3,23,24)(H,25,27)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50580336 (CHEMBL5091873) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1)NC(C)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal 10-His tagged hepsin (Arg45 to Leu417) expressed in mouse myeloma cells using Boc-QAR-AMC as substrate pre...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01671 BindingDB Entry DOI: 10.7270/Q2BZ69XG
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50272187 (CHEMBL4128554) Show SMILES NC(=N)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(F)cc2)C2CCCCC2)cc1 |r| Show InChI InChI=1S/C21H25FN4O3S/c22-16-8-12-18(13-9-16)30(28,29)26-19(14-4-2-1-3-5-14)21(27)25-17-10-6-15(7-11-17)20(23)24/h6-14,19,26H,1-5H2,(H3,23,24)(H,25,27)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50272280 (CHEMBL4127165) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](C1CCCCC1)C(=O)Nc1ccc(cc1)C(N)=N |r| Show InChI InChI=1S/C22H28N4O3S/c1-15-7-13-19(14-8-15)30(28,29)26-20(16-5-3-2-4-6-16)22(27)25-18-11-9-17(10-12-18)21(23)24/h7-14,16,20,26H,2-6H2,1H3,(H3,23,24)(H,25,27)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50041802 (1,8-dihydroxy-9(10H)-anthracenone | 1,8-dihydroxy-...) Show SMILES Oc1cccc2Cc3cccc(O)c3C(=O)c12 Show InChI InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center US Patent					Assay Description To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...				US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50272180 (CHEMBL4128355) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(C(=O)Nc1ccc(cc1)C(N)=N)c1ccccc1 Show InChI InChI=1S/C22H22N4O3S/c1-15-7-13-19(14-8-15)30(28,29)26-20(16-5-3-2-4-6-16)22(27)25-18-11-9-17(10-12-18)21(23)24/h2-14,20,26H,1H3,(H3,23,24)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50066614 ((E,E)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...) Show SMILES NC(=N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)=N)C2=O)cc1 Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13+,20-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	272	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM123129 (1-(3-nitro-phenyl)-pyrrole-2,5-dione (17) | CID236...) Show SMILES [O-][N+](=O)c1cccc(c1)N1C(=O)C=CC1=O |c:13| Show InChI InChI=1S/C10H6N2O4/c13-9-4-5-10(14)11(9)7-2-1-3-8(6-7)12(15)16/h1-6H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center US Patent					Assay Description To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...				US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50272349 (CHEMBL4125890) Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C1CCCCC1)C(=O)Nc1ccc(cc1)C(N)=N |r| Show InChI InChI=1S/C22H28N4O4S/c1-30-18-11-13-19(14-12-18)31(28,29)26-20(15-5-3-2-4-6-15)22(27)25-17-9-7-16(8-10-17)21(23)24/h7-15,20,26H,2-6H2,1H3,(H3,23,24)(H,25,27)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50272222 (CHEMBL4128356) Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCC(C2)C(=O)NCc2cccs2)c1 |r| Show InChI InChI=1S/C31H33N5O4S2/c32-29(33)24-9-3-6-21(16-24)17-28(35-42(39,40)27-13-12-22-7-1-2-8-23(22)18-27)31(38)36-14-4-10-25(20-36)30(37)34-19-26-11-5-15-41-26/h1-3,5-9,11-13,15-16,18,25,28,35H,4,10,14,17,19-20H2,(H3,32,33)(H,34,37)/t25?,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM191639 (US9182402, 12) Show SMILES Oc1cc(NC(=O)c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)ccc1-c1nc2ccccc2o1 Show InChI InChI=1S/C24H15N3O6/c28-19-13-15(8-9-17(19)24-26-18-6-1-2-7-21(18)33-24)25-23(29)22-11-10-20(32-22)14-4-3-5-16(12-14)27(30)31/h1-13,28H,(H,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center US Patent					Assay Description To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...				US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50069104 (CHEMBL1449583 | US9182402, 4) Show SMILES Cc1cccc(c1)C1Nc2cccc3cccc(N1)c23 Show InChI InChI=1S/C18H16N2/c1-12-5-2-8-14(11-12)18-19-15-9-3-6-13-7-4-10-16(20-18)17(13)15/h2-11,18-20H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center US Patent					Assay Description To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...				US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50069104 (CHEMBL1449583 | US9182402, 4) Show SMILES Cc1cccc(c1)C1Nc2cccc3cccc(N1)c23 Show InChI InChI=1S/C18H16N2/c1-12-5-2-8-14(11-12)18-19-15-9-3-6-13-7-4-10-16(20-18)17(13)15/h2-11,18-20H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	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)				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))	BDBM50104435 (4-(6-Guanidino-hexanoyloxy)-benzoic acid ethyl est...) Show SMILES CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1 Show InChI InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	383	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50007260 (2,6-Di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydrox...) Show SMILES CC(C)(Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	US Patent	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center US Patent					Assay Description To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...				US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50272182 (CHEMBL4128130) Show SMILES CCCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C20H26N4O3S/c1-3-4-5-18(24-28(26,27)17-12-6-14(2)7-13-17)20(25)23-16-10-8-15(9-11-16)19(21)22/h6-13,18,24H,3-5H2,1-2H3,(H3,21,22)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM191631 (US9182402, 5) Show SMILES [O-][N+](=O)c1ccc(cc1)C1Nc2c(cccc2C(F)(F)F)C2C=CCC12 |c:24| Show InChI InChI=1S/C19H15F3N2O2/c20-19(21,22)16-6-2-5-15-13-3-1-4-14(13)17(23-18(15)16)11-7-9-12(10-8-11)24(25)26/h1-3,5-10,13-14,17,23H,4H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center US Patent					Assay Description To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...				US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50272223 (CHEMBL4129512) Show SMILES CC(C)CC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C20H26N4O3S/c1-13(2)12-18(24-28(26,27)17-10-4-14(3)5-11-17)20(25)23-16-8-6-15(7-9-16)19(21)22/h4-11,13,18,24H,12H2,1-3H3,(H3,21,22)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50272222 (CHEMBL4128356) Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCC(C2)C(=O)NCc2cccs2)c1 |r| Show InChI InChI=1S/C31H33N5O4S2/c32-29(33)24-9-3-6-21(16-24)17-28(35-42(39,40)27-13-12-22-7-1-2-8-23(22)18-27)31(38)36-14-4-10-25(20-36)30(37)34-19-26-11-5-15-41-26/h1-3,5-9,11-13,15-16,18,25,28,35H,4,10,14,17,19-20H2,(H3,32,33)(H,34,37)/t25?,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	676	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50272220 (CHEMBL4127452) Show SMILES NC(=N)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(cc2)C(F)(F)F)C2CCCCC2)cc1 |r| Show InChI InChI=1S/C22H25F3N4O3S/c23-22(24,25)16-8-12-18(13-9-16)33(31,32)29-19(14-4-2-1-3-5-14)21(30)28-17-10-6-15(7-11-17)20(26)27/h6-14,19,29H,1-5H2,(H3,26,27)(H,28,30)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50272350 (CHEMBL4127961) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(CC1CCCC1)C(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C22H28N4O3S/c1-15-6-12-19(13-7-15)30(28,29)26-20(14-16-4-2-3-5-16)22(27)25-18-10-8-17(9-11-18)21(23)24/h6-13,16,20,26H,2-5,14H2,1H3,(H3,23,24)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM191635 (US9182402, 8) Show SMILES Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccc(Br)cc2)cc1Cl Show InChI InChI=1S/C15H9BrCl2N4OS/c16-9-3-1-8(2-4-9)13-21-22-15(24-13)20-14(23)19-10-5-6-11(17)12(18)7-10/h1-7H,(H2,19,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center US Patent					Assay Description To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...				US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50013876 (CHEMBL291278 | Methyl aspartic acid | N-Methyl asp...) Show SMILES CN[C@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center US Patent					Assay Description To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...				US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM191632 (US9182402, 2) Show SMILES Cc1ccc(OCc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1C Show InChI InChI=1S/C18H17ClN4O2S/c1-11-6-7-15(8-12(11)2)25-10-16-22-23-18(26-16)21-17(24)20-14-5-3-4-13(19)9-14/h3-9H,10H2,1-2H3,(H2,20,21,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center US Patent					Assay Description To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...				US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50272220 (CHEMBL4127452) Show SMILES NC(=N)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(cc2)C(F)(F)F)C2CCCCC2)cc1 |r| Show InChI InChI=1S/C22H25F3N4O3S/c23-22(24,25)16-8-12-18(13-9-16)33(31,32)29-19(14-4-2-1-3-5-14)21(30)28-17-10-6-15(7-11-17)20(26)27/h6-14,19,29H,1-5H2,(H3,26,27)(H,28,30)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair

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