Compile Data Set for Download or QSAR

Found 1278 hits with Last Name = 'nakagawa' and Initial = 't'   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50351401 (CHEMBL1819091) Show SMILES CC[C@@]1(N)CCCN(C1)c1cc2n(C)c(=O)n(C)c(=O)c2n1Cc1cc(F)ccc1C#N |r| Show InChI InChI=1S/C23H27FN6O2/c1-4-23(26)8-5-9-29(14-23)19-11-18-20(21(31)28(3)22(32)27(18)2)30(19)13-16-10-17(24)7-6-15(16)12-25/h6-7,10-11H,4-5,8-9,13-14,26H2,1-3H3/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes pre-incubated for 15 mins by LC/MS/MS analysis				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50351399 (CHEMBL1819089) Show SMILES Cn1c2cc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C21H23FN6O2/c1-25-17-9-18(27-7-3-4-16(24)12-27)28(19(17)20(29)26(2)21(25)30)11-14-8-15(22)6-5-13(14)10-23/h5-6,8-9,16H,3-4,7,11-12,24H2,1-2H3/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes pre-incubated for 15 mins by LC/MS/MS analysis				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50247054 (6-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azep...) Show SMILES CNC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to histamine H3 receptor				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158073 (US9024044, 1 | US9227949, 1 | US9655879, 1) Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CC3(CCC3)C(=O)N[C@@H](CC(O)=O)C(O)=O)s2)c(F)c1 |r| Show InChI InChI=1S/C22H22FN3O7S/c23-13-8-11(18(24)25)2-4-15(13)33-20(31)16-5-3-12(34-16)10-22(6-1-7-22)21(32)26-14(19(29)30)9-17(27)28/h2-5,8,14H,1,6-7,9-10H2,(H3,24,25)(H,26,32)(H,27,28)(H,29,30)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	0.140	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
Ajinomoto Co., Inc. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme su...				US Patent US9024044 (2015) BindingDB Entry DOI: 10.7270/Q2F47MVB
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158073 (US9024044, 1 | US9227949, 1 | US9655879, 1) Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CC3(CCC3)C(=O)N[C@@H](CC(O)=O)C(O)=O)s2)c(F)c1 |r| Show InChI InChI=1S/C22H22FN3O7S/c23-13-8-11(18(24)25)2-4-15(13)33-20(31)16-5-3-12(34-16)10-22(6-1-7-22)21(32)26-14(19(29)30)9-17(27)28/h2-5,8,14H,1,6-7,9-10H2,(H3,24,25)(H,26,32)(H,27,28)(H,29,30)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EA Pharma Co., Ltd. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 ...				US Patent US9655879 (2017) BindingDB Entry DOI: 10.7270/Q22Z17KS
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158073 (US9024044, 1 | US9227949, 1 | US9655879, 1) Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CC3(CCC3)C(=O)N[C@@H](CC(O)=O)C(O)=O)s2)c(F)c1 |r| Show InChI InChI=1S/C22H22FN3O7S/c23-13-8-11(18(24)25)2-4-15(13)33-20(31)16-5-3-12(34-16)10-22(6-1-7-22)21(32)26-14(19(29)30)9-17(27)28/h2-5,8,14H,1,6-7,9-10H2,(H3,24,25)(H,26,32)(H,27,28)(H,29,30)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	0.140	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AJINOMOTO CO., INC. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 uL), 400 mM Tris-HCl buffer (pH 8.0, 25 uL) and 0.5 mg/mL, fluorescence enzyme substrate (...				US Patent US9227949 (2016) BindingDB Entry DOI: 10.7270/Q2959GBT
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50247053 (1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...) Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1 Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells by [35S]gammaS binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM158146 (US9024044, 74 | US9227949, 74 | US9655879, 74) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(O)cc(c1)C(O)=O Show InChI InChI=1S/C24H21FN3O6S/c1-24(2,23(33)28-14-7-13(21(30)31)8-15(29)10-14)11-16-4-6-19(35-16)22(32)34-18-5-3-12(20(26)27)9-17(18)25/h3-10H,11H2,1-2H3,(H3,26,27)(H,28,33)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.180	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AJINOMOTO CO., INC. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 uL) was mixed with 20 uM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 uL) mixed ...				US Patent US9227949 (2016) BindingDB Entry DOI: 10.7270/Q2959GBT
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM158146 (US9024044, 74 | US9227949, 74 | US9655879, 74) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(O)cc(c1)C(O)=O Show InChI InChI=1S/C24H21FN3O6S/c1-24(2,23(33)28-14-7-13(21(30)31)8-15(29)10-14)11-16-4-6-19(35-16)22(32)34-18-5-3-12(20(26)27)9-17(18)25/h3-10H,11H2,1-2H3,(H3,26,27)(H,28,33)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EA Pharma Co., Ltd. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme su...				US Patent US9655879 (2017) BindingDB Entry DOI: 10.7270/Q22Z17KS
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM158146 (US9024044, 74 | US9227949, 74 | US9655879, 74) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(O)cc(c1)C(O)=O Show InChI InChI=1S/C24H21FN3O6S/c1-24(2,23(33)28-14-7-13(21(30)31)8-15(29)10-14)11-16-4-6-19(35-16)22(32)34-18-5-3-12(20(26)27)9-17(18)25/h3-10H,11H2,1-2H3,(H3,26,27)(H,28,33)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.180	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
Ajinomoto Co., Inc. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 ...				US Patent US9024044 (2015) BindingDB Entry DOI: 10.7270/Q2F47MVB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50268293 ((5-(1-cyclobutylpiperidin-4-yloxy)-1-(2,2,2-triflu...) Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3CCC3)ccc12)C(=O)N1CCOCC1 Show InChI InChI=1S/C24H30F3N3O3/c25-24(26,27)16-30-21-5-4-20(33-19-6-8-28(9-7-19)18-2-1-3-18)14-17(21)15-22(30)23(31)29-10-12-32-13-11-29/h4-5,14-15,18-19H,1-3,6-13,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM158140 (US9024044, 68 | US9227949, 68 | US9655879, 68) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1ccc(C(O)=O)c(c1)C(O)=O Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-13-4-6-15(21(30)31)16(10-13)22(32)33)11-14-5-8-19(37-14)23(34)36-18-7-3-12(20(27)28)9-17(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.210	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AJINOMOTO CO., INC. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 uL) was mixed with 20 uM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 uL) mixed ...				US Patent US9227949 (2016) BindingDB Entry DOI: 10.7270/Q2959GBT
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM158140 (US9024044, 68 | US9227949, 68 | US9655879, 68) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1ccc(C(O)=O)c(c1)C(O)=O Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-13-4-6-15(21(30)31)16(10-13)22(32)33)11-14-5-8-19(37-14)23(34)36-18-7-3-12(20(27)28)9-17(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EA Pharma Co., Ltd. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme su...				US Patent US9655879 (2017) BindingDB Entry DOI: 10.7270/Q22Z17KS
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM158140 (US9024044, 68 | US9227949, 68 | US9655879, 68) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1ccc(C(O)=O)c(c1)C(O)=O Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-13-4-6-15(21(30)31)16(10-13)22(32)33)11-14-5-8-19(37-14)23(34)36-18-7-3-12(20(27)28)9-17(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.210	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
Ajinomoto Co., Inc. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 ...				US Patent US9024044 (2015) BindingDB Entry DOI: 10.7270/Q2F47MVB
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158077 (US9024044, 5 | US9227949, 5 | US9655879, 5) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N(CC=C)CC(O)=O Show InChI InChI=1S/C22H24FN3O5S/c1-4-9-26(12-18(27)28)21(30)22(2,3)11-14-6-8-17(32-14)20(29)31-16-7-5-13(19(24)25)10-15(16)23/h4-8,10H,1,9,11-12H2,2-3H3,(H3,24,25)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.240	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AJINOMOTO CO., INC. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 uL), 400 mM Tris-HCl buffer (pH 8.0, 25 uL) and 0.5 mg/mL, fluorescence enzyme substrate (...				US Patent US9227949 (2016) BindingDB Entry DOI: 10.7270/Q2959GBT
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158140 (US9024044, 68 | US9227949, 68 | US9655879, 68) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1ccc(C(O)=O)c(c1)C(O)=O Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-13-4-6-15(21(30)31)16(10-13)22(32)33)11-14-5-8-19(37-14)23(34)36-18-7-3-12(20(27)28)9-17(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.240	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
Ajinomoto Co., Inc. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme su...				US Patent US9024044 (2015) BindingDB Entry DOI: 10.7270/Q2F47MVB
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158077 (US9024044, 5 | US9227949, 5 | US9655879, 5) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N(CC=C)CC(O)=O Show InChI InChI=1S/C22H24FN3O5S/c1-4-9-26(12-18(27)28)21(30)22(2,3)11-14-6-8-17(32-14)20(29)31-16-7-5-13(19(24)25)10-15(16)23/h4-8,10H,1,9,11-12H2,2-3H3,(H3,24,25)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.240	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
Ajinomoto Co., Inc. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme su...				US Patent US9024044 (2015) BindingDB Entry DOI: 10.7270/Q2F47MVB
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158077 (US9024044, 5 | US9227949, 5 | US9655879, 5) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N(CC=C)CC(O)=O Show InChI InChI=1S/C22H24FN3O5S/c1-4-9-26(12-18(27)28)21(30)22(2,3)11-14-6-8-17(32-14)20(29)31-16-7-5-13(19(24)25)10-15(16)23/h4-8,10H,1,9,11-12H2,2-3H3,(H3,24,25)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EA Pharma Co., Ltd. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 ...				US Patent US9655879 (2017) BindingDB Entry DOI: 10.7270/Q22Z17KS
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM199976 (US9227949, 86) Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](Cc1nn[nH]n1)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.240	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AJINOMOTO CO., INC. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 uL), 400 mM Tris-HCl buffer (pH 8.0, 25 uL) and 0.5 mg/mL, fluorescence enzyme substrate (...				US Patent US9227949 (2016) BindingDB Entry DOI: 10.7270/Q2959GBT
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM308550 (US9655879, 86) Show SMILES Cl.CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](Cc1nn[nH]n1)C(O)=O |r| Show InChI InChI=1S/C23H26FN7O5S.ClH/c1-3-23(4-2,22(35)27-15(20(32)33)10-18-28-30-31-29-18)11-13-6-8-17(37-13)21(34)36-16-7-5-12(19(25)26)9-14(16)24;/h5-9,15H,3-4,10-11H2,1-2H3,(H3,25,26)(H,27,35)(H,32,33)(H,28,29,30,31);1H/t15-;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EA Pharma Co., Ltd. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 ...				US Patent US9655879 (2017) BindingDB Entry DOI: 10.7270/Q22Z17KS
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158140 (US9024044, 68 | US9227949, 68 | US9655879, 68) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1ccc(C(O)=O)c(c1)C(O)=O Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-13-4-6-15(21(30)31)16(10-13)22(32)33)11-14-5-8-19(37-14)23(34)36-18-7-3-12(20(27)28)9-17(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EA Pharma Co., Ltd. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 ...				US Patent US9655879 (2017) BindingDB Entry DOI: 10.7270/Q22Z17KS
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158140 (US9024044, 68 | US9227949, 68 | US9655879, 68) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1ccc(C(O)=O)c(c1)C(O)=O Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-13-4-6-15(21(30)31)16(10-13)22(32)33)11-14-5-8-19(37-14)23(34)36-18-7-3-12(20(27)28)9-17(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.240	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AJINOMOTO CO., INC. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 uL), 400 mM Tris-HCl buffer (pH 8.0, 25 uL) and 0.5 mg/mL, fluorescence enzyme substrate (...				US Patent US9227949 (2016) BindingDB Entry DOI: 10.7270/Q2959GBT
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158097 (US9024044, 25 | US9227949, 25) Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H26FN3O7S/c1-3-23(4-2,22(33)27-15(20(30)31)10-18(28)29)11-13-6-8-17(35-13)21(32)34-16-7-5-12(19(25)26)9-14(16)24/h5-9,15H,3-4,10-11H2,1-2H3,(H3,25,26)(H,27,33)(H,28,29)(H,30,31)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	0.260	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AJINOMOTO CO., INC. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 uL), 400 mM Tris-HCl buffer (pH 8.0, 25 uL) and 0.5 mg/mL, fluorescence enzyme substrate (...				US Patent US9227949 (2016) BindingDB Entry DOI: 10.7270/Q2959GBT
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM308429 (US9655879, 25) Show SMILES Cl.CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H26FN3O7S.ClH/c1-3-23(4-2,22(33)27-15(20(30)31)10-18(28)29)11-13-6-8-17(35-13)21(32)34-16-7-5-12(19(25)26)9-14(16)24;/h5-9,15H,3-4,10-11H2,1-2H3,(H3,25,26)(H,27,33)(H,28,29)(H,30,31);1H/t15-;/m1./s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EA Pharma Co., Ltd. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 ...				US Patent US9655879 (2017) BindingDB Entry DOI: 10.7270/Q22Z17KS
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158097 (US9024044, 25 | US9227949, 25) Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H26FN3O7S/c1-3-23(4-2,22(33)27-15(20(30)31)10-18(28)29)11-13-6-8-17(35-13)21(32)34-16-7-5-12(19(25)26)9-14(16)24/h5-9,15H,3-4,10-11H2,1-2H3,(H3,25,26)(H,27,33)(H,28,29)(H,30,31)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	0.260	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
Ajinomoto Co., Inc. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme su...				US Patent US9024044 (2015) BindingDB Entry DOI: 10.7270/Q2F47MVB
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158096 (US9024044, 24 | US9227949, 24) Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C24H28FN3O7S/c1-3-24(4-2,23(34)28-16(21(31)32)7-10-19(29)30)12-14-6-9-18(36-14)22(33)35-17-8-5-13(20(26)27)11-15(17)25/h5-6,8-9,11,16H,3-4,7,10,12H2,1-2H3,(H3,26,27)(H,28,34)(H,29,30)(H,31,32)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.270	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AJINOMOTO CO., INC. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 uL), 400 mM Tris-HCl buffer (pH 8.0, 25 uL) and 0.5 mg/mL, fluorescence enzyme substrate (...				US Patent US9227949 (2016) BindingDB Entry DOI: 10.7270/Q2959GBT
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM308428 (US9655879, 24) Show SMILES Cl.CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C24H28FN3O7S.ClH/c1-3-24(4-2,23(34)28-16(21(31)32)7-10-19(29)30)12-14-6-9-18(36-14)22(33)35-17-8-5-13(20(26)27)11-15(17)25;/h5-6,8-9,11,16H,3-4,7,10,12H2,1-2H3,(H3,26,27)(H,28,34)(H,29,30)(H,31,32);1H/t16-;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EA Pharma Co., Ltd. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 ...				US Patent US9655879 (2017) BindingDB Entry DOI: 10.7270/Q22Z17KS
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158096 (US9024044, 24 | US9227949, 24) Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C24H28FN3O7S/c1-3-24(4-2,23(34)28-16(21(31)32)7-10-19(29)30)12-14-6-9-18(36-14)22(33)35-17-8-5-13(20(26)27)11-15(17)25/h5-6,8-9,11,16H,3-4,7,10,12H2,1-2H3,(H3,26,27)(H,28,34)(H,29,30)(H,31,32)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.270	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
Ajinomoto Co., Inc. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme su...				US Patent US9024044 (2015) BindingDB Entry DOI: 10.7270/Q2F47MVB
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158075 (US9024044, 3 | US9227949, 3) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)NCC(O)=O Show InChI InChI=1S/C19H20FN3O5S/c1-19(2,18(27)23-9-15(24)25)8-11-4-6-14(29-11)17(26)28-13-5-3-10(16(21)22)7-12(13)20/h3-7H,8-9H2,1-2H3,(H3,21,22)(H,23,27)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.290	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AJINOMOTO CO., INC. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 uL), 400 mM Tris-HCl buffer (pH 8.0, 25 uL) and 0.5 mg/mL, fluorescence enzyme substrate (...				US Patent US9227949 (2016) BindingDB Entry DOI: 10.7270/Q2959GBT
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM308123 (US9655879, 3) Show SMILES Cl.CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)NCC(O)=O Show InChI InChI=1S/C19H20FN3O5S/c1-19(2,18(27)23-9-15(24)25)8-11-4-6-14(29-11)17(26)28-13-5-3-10(16(21)22)7-12(13)20/h3-7H,8-9H2,1-2H3,(H3,21,22)(H,23,27)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EA Pharma Co., Ltd. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 ...				US Patent US9655879 (2017) BindingDB Entry DOI: 10.7270/Q22Z17KS
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158075 (US9024044, 3 | US9227949, 3) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)NCC(O)=O Show InChI InChI=1S/C19H20FN3O5S/c1-19(2,18(27)23-9-15(24)25)8-11-4-6-14(29-11)17(26)28-13-5-3-10(16(21)22)7-12(13)20/h3-7H,8-9H2,1-2H3,(H3,21,22)(H,23,27)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.290	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
Ajinomoto Co., Inc. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme su...				US Patent US9024044 (2015) BindingDB Entry DOI: 10.7270/Q2F47MVB
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM199983 (US9227949, 93) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N1C[C@H](O)C[C@H]1C(O)=O |r| Show InChI InChI=1S/C22H24FN3O6S/c1-22(2,21(31)26-10-12(27)8-15(26)19(28)29)9-13-4-6-17(33-13)20(30)32-16-5-3-11(18(24)25)7-14(16)23/h3-7,12,15,27H,8-10H2,1-2H3,(H3,24,25)(H,28,29)/t12-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AJINOMOTO CO., INC. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 uL), 400 mM Tris-HCl buffer (pH 8.0, 25 uL) and 0.5 mg/mL, fluorescence enzyme substrate (...				US Patent US9227949 (2016) BindingDB Entry DOI: 10.7270/Q2959GBT
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50268291 ((1-(3,4-dichlorophenyl)-5-(1-isopropylpiperidin-4-...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(c(cc2c1)C(=O)N1CCC(F)(F)CC1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C28H31Cl2F2N3O2/c1-18(2)33-11-7-21(8-12-33)37-22-4-6-25-19(15-22)16-26(27(36)34-13-9-28(31,32)10-14-34)35(25)20-3-5-23(29)24(30)17-20/h3-6,15-18,21H,7-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM308557 (US9655879, 93) Show SMILES Cl.CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N1C[C@H](O)C[C@H]1C(O)=O |r| Show InChI InChI=1S/C22H24FN3O6S.ClH/c1-22(2,21(31)26-10-12(27)8-15(26)19(28)29)9-13-4-6-17(33-13)20(30)32-16-5-3-11(18(24)25)7-14(16)23;/h3-7,12,15,27H,8-10H2,1-2H3,(H3,24,25)(H,28,29);1H/t12-,15+;/m1./s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EA Pharma Co., Ltd. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 ...				US Patent US9655879 (2017) BindingDB Entry DOI: 10.7270/Q22Z17KS
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158131 (US9024044, 59 | US9227949, 59 | US9655879, 59) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-15-8-13(21(30)31)7-14(9-15)22(32)33)11-16-4-6-19(37-16)23(34)36-18-5-3-12(20(27)28)10-17(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.310	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
Ajinomoto Co., Inc. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme su...				US Patent US9024044 (2015) BindingDB Entry DOI: 10.7270/Q2F47MVB
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158131 (US9024044, 59 | US9227949, 59 | US9655879, 59) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-15-8-13(21(30)31)7-14(9-15)22(32)33)11-16-4-6-19(37-16)23(34)36-18-5-3-12(20(27)28)10-17(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EA Pharma Co., Ltd. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 ...				US Patent US9655879 (2017) BindingDB Entry DOI: 10.7270/Q22Z17KS
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158131 (US9024044, 59 | US9227949, 59 | US9655879, 59) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-15-8-13(21(30)31)7-14(9-15)22(32)33)11-16-4-6-19(37-16)23(34)36-18-5-3-12(20(27)28)10-17(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.310	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AJINOMOTO CO., INC. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 uL), 400 mM Tris-HCl buffer (pH 8.0, 25 uL) and 0.5 mg/mL, fluorescence enzyme substrate (...				US Patent US9227949 (2016) BindingDB Entry DOI: 10.7270/Q2959GBT
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158091 (US9024044, 19 | US9227949, 19) Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H26FN3O7S/c1-3-23(4-2,22(33)27-15(20(30)31)10-18(28)29)11-13-6-8-17(35-13)21(32)34-16-7-5-12(19(25)26)9-14(16)24/h5-9,15H,3-4,10-11H2,1-2H3,(H3,25,26)(H,27,33)(H,28,29)(H,30,31)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	0.330	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AJINOMOTO CO., INC. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 uL), 400 mM Tris-HCl buffer (pH 8.0, 25 uL) and 0.5 mg/mL, fluorescence enzyme substrate (...				US Patent US9227949 (2016) BindingDB Entry DOI: 10.7270/Q2959GBT
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM308401 (US9655879, 19) Show SMILES Cl.CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H26FN3O7S.ClH/c1-3-23(4-2,22(33)27-15(20(30)31)10-18(28)29)11-13-6-8-17(35-13)21(32)34-16-7-5-12(19(25)26)9-14(16)24;/h5-9,15H,3-4,10-11H2,1-2H3,(H3,25,26)(H,27,33)(H,28,29)(H,30,31);1H/t15-;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EA Pharma Co., Ltd. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 ...				US Patent US9655879 (2017) BindingDB Entry DOI: 10.7270/Q22Z17KS
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158091 (US9024044, 19 | US9227949, 19) Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H26FN3O7S/c1-3-23(4-2,22(33)27-15(20(30)31)10-18(28)29)11-13-6-8-17(35-13)21(32)34-16-7-5-12(19(25)26)9-14(16)24/h5-9,15H,3-4,10-11H2,1-2H3,(H3,25,26)(H,27,33)(H,28,29)(H,30,31)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	0.330	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
Ajinomoto Co., Inc. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme su...				US Patent US9024044 (2015) BindingDB Entry DOI: 10.7270/Q2F47MVB
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158147 (US9024044, 75 | US9227949, 75 | US9655879, 75) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(ccc1C(O)=O)C(O)=O Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-17-10-13(21(30)31)3-6-15(17)22(32)33)11-14-5-8-19(37-14)23(34)36-18-7-4-12(20(27)28)9-16(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.390	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
Ajinomoto Co., Inc. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme su...				US Patent US9024044 (2015) BindingDB Entry DOI: 10.7270/Q2F47MVB
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158147 (US9024044, 75 | US9227949, 75 | US9655879, 75) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(ccc1C(O)=O)C(O)=O Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-17-10-13(21(30)31)3-6-15(17)22(32)33)11-14-5-8-19(37-14)23(34)36-18-7-4-12(20(27)28)9-16(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.390	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AJINOMOTO CO., INC. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 uL), 400 mM Tris-HCl buffer (pH 8.0, 25 uL) and 0.5 mg/mL, fluorescence enzyme substrate (...				US Patent US9227949 (2016) BindingDB Entry DOI: 10.7270/Q2959GBT
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158147 (US9024044, 75 | US9227949, 75 | US9655879, 75) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(ccc1C(O)=O)C(O)=O Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-17-10-13(21(30)31)3-6-15(17)22(32)33)11-14-5-8-19(37-14)23(34)36-18-7-4-12(20(27)28)9-16(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EA Pharma Co., Ltd. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 ...				US Patent US9655879 (2017) BindingDB Entry DOI: 10.7270/Q22Z17KS
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM199977 (US9227949, 87 | US9655879, 87) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(O)=O Show InChI InChI=1S/C17H17FN2O4S/c1-17(2,16(22)23)8-10-4-6-13(25-10)15(21)24-12-5-3-9(14(19)20)7-11(12)18/h3-7H,8H2,1-2H3,(H3,19,20)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EA Pharma Co., Ltd. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 ...				US Patent US9655879 (2017) BindingDB Entry DOI: 10.7270/Q22Z17KS
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM199977 (US9227949, 87 | US9655879, 87) Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(O)=O Show InChI InChI=1S/C17H17FN2O4S/c1-17(2,16(22)23)8-10-4-6-13(25-10)15(21)24-12-5-3-9(14(19)20)7-11(12)18/h3-7H,8H2,1-2H3,(H3,19,20)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.390	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AJINOMOTO CO., INC. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 uL), 400 mM Tris-HCl buffer (pH 8.0, 25 uL) and 0.5 mg/mL, fluorescence enzyme substrate (...				US Patent US9227949 (2016) BindingDB Entry DOI: 10.7270/Q2959GBT
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50268323 ((5-(1-cyclopropylpiperidin-4-yloxy)-1-(2,2,2-trifl...) Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3CC3)ccc12)C(=O)N1CCOCC1 Show InChI InChI=1S/C23H28F3N3O3/c24-23(25,26)15-29-20-4-3-19(32-18-5-7-27(8-6-18)17-1-2-17)13-16(20)14-21(29)22(30)28-9-11-31-12-10-28/h3-4,13-14,17-18H,1-2,5-12,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50139391 ((R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofu...) Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to histamine H3 receptor				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158079 (US9024044, 7 | US9227949, 7 | US9655879, 7) Show SMILES CN(CC(O)=O)C(=O)C(C)(C)Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N Show InChI InChI=1S/C20H22FN3O5S/c1-20(2,19(28)24(3)10-16(25)26)9-12-5-7-15(30-12)18(27)29-14-6-4-11(17(22)23)8-13(14)21/h4-8H,9-10H2,1-3H3,(H3,22,23)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.410	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AJINOMOTO CO., INC. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 uL), 400 mM Tris-HCl buffer (pH 8.0, 25 uL) and 0.5 mg/mL, fluorescence enzyme substrate (...				US Patent US9227949 (2016) BindingDB Entry DOI: 10.7270/Q2959GBT
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158083 (US9024044, 11 | US9227949, 11) Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C22H26FN3O6S/c1-3-22(4-2,21(31)26-15(11-27)19(28)29)10-13-6-8-17(33-13)20(30)32-16-7-5-12(18(24)25)9-14(16)23/h5-9,15,27H,3-4,10-11H2,1-2H3,(H3,24,25)(H,26,31)(H,28,29)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.410	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AJINOMOTO CO., INC. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 uL), 400 mM Tris-HCl buffer (pH 8.0, 25 uL) and 0.5 mg/mL, fluorescence enzyme substrate (...				US Patent US9227949 (2016) BindingDB Entry DOI: 10.7270/Q2959GBT
					More data for this Ligand-Target Pair
Enteropeptidase (Homo sapiens (Human))	BDBM158079 (US9024044, 7 | US9227949, 7 | US9655879, 7) Show SMILES CN(CC(O)=O)C(=O)C(C)(C)Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N Show InChI InChI=1S/C20H22FN3O5S/c1-20(2,19(28)24(3)10-16(25)26)9-12-5-7-15(30-12)18(27)29-14-6-4-11(17(22)23)8-13(14)21/h4-8H,9-10H2,1-3H3,(H3,22,23)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EA Pharma Co., Ltd. US Patent					Assay Description Using a 96 well plate (#3915, Costar), a test compound (25 μL) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 ...				US Patent US9655879 (2017) BindingDB Entry DOI: 10.7270/Q22Z17KS
					More data for this Ligand-Target Pair

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