Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50007841   

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
Trypsin (Homo sapiens (Human))	BDBM50513213 (CHEMBL3344303) Show SMILES NC(=N)Nc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1 Show InChI InChI=1S/C15H16N6O2/c16-14(17)20-10-3-1-9(2-4-10)13(22)23-12-7-5-11(6-8-12)21-15(18)19/h1-8H,(H4,16,17,20)(H4,18,19,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate ...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50513215 (CHEMBL4561509) Show SMILES NCc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1 Show InChI InChI=1S/C15H16N4O2/c16-9-10-1-7-13(8-2-10)21-14(20)11-3-5-12(6-4-11)19-15(17)18/h1-8H,9,16H2,(H4,17,18,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate ...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50513214 (CHEMBL4586045) Show SMILES NC(=N)Nc1ccc(OC(=O)c2ccc(N)cc2)cc1 Show InChI InChI=1S/C14H14N4O2/c15-10-3-1-9(2-4-10)13(19)20-12-7-5-11(6-8-12)18-14(16)17/h1-8H,15H2,(H4,16,17,18)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate ...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Trypsin (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 KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate ...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50513218 (CHEMBL4451902) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(N)cc1 Show InChI InChI=1S/C14H14N4O2/c15-10-3-7-12(8-4-10)20-13(19)9-1-5-11(6-2-9)18-14(16)17/h1-8H,15H2,(H4,16,17,18)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate ...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50513215 (CHEMBL4561509) Show SMILES NCc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1 Show InChI InChI=1S/C15H16N4O2/c16-9-10-1-7-13(8-2-10)21-14(20)11-3-5-12(6-4-11)19-15(17)18/h1-8H,9,16H2,(H4,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Prothrombin (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50513218 (CHEMBL4451902) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(N)cc1 Show InChI InChI=1S/C14H14N4O2/c15-10-3-7-12(8-4-10)20-13(19)9-1-5-11(6-2-9)18-14(16)17/h1-8H,15H2,(H4,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50513213 (CHEMBL3344303) Show SMILES NC(=N)Nc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1 Show InChI InChI=1S/C15H16N6O2/c16-14(17)20-10-3-1-9(2-4-10)13(22)23-12-7-5-11(6-8-12)21-15(18)19/h1-8H,(H4,16,17,20)(H4,18,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50513217 (CHEMBL4439506) Show SMILES NC(=N)NCCCCOC(=O)c1ccc(NC(N)=N)cc1 Show InChI InChI=1S/C13H20N6O2/c14-12(15)18-7-1-2-8-21-11(20)9-3-5-10(6-4-9)19-13(16)17/h3-6H,1-2,7-8H2,(H4,14,15,18)(H4,16,17,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate ...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50513216 (CHEMBL4453926) Show SMILES NC(=N)NCCCOC(=O)c1ccc(NC(N)=N)cc1 Show InChI InChI=1S/C12H18N6O2/c13-11(14)17-6-1-7-20-10(19)8-2-4-9(5-3-8)18-12(15)16/h2-5H,1,6-7H2,(H4,13,14,17)(H4,15,16,18)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate ...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50513213 (CHEMBL3344303) Show SMILES NC(=N)Nc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1 Show InChI InChI=1S/C15H16N6O2/c16-14(17)20-10-3-1-9(2-4-10)13(22)23-12-7-5-11(6-8-12)21-15(18)19/h1-8H,(H4,16,17,20)(H4,18,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of dengue virus serotype 2 His-tagged NS2B cofactor domain-NS3 protease expressed in Escherichia coli using 2-Abz-Nle-Lys-Arg-Arg-Ser-(3-N...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50513214 (CHEMBL4586045) Show SMILES NC(=N)Nc1ccc(OC(=O)c2ccc(N)cc2)cc1 Show InChI InChI=1S/C14H14N4O2/c15-10-3-1-9(2-4-10)13(19)20-12-7-5-11(6-8-12)18-14(16)17/h1-8H,15H2,(H4,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50513212 (CHEMBL4467388) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Nc1cccc(NC(N)=N)c1 Show InChI InChI=1S/C15H17N7O/c16-14(17)21-10-6-4-9(5-7-10)13(23)20-11-2-1-3-12(8-11)22-15(18)19/h1-8H,(H,20,23)(H4,16,17,21)(H4,18,19,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate ...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50513219 (CHEMBL4437757) Show SMILES NC(=N)Nc1ccc(NC(=O)Oc2ccc(N)cc2)cc1 Show InChI InChI=1S/C14H15N5O2/c15-9-1-7-12(8-2-9)21-14(20)19-11-5-3-10(4-6-11)18-13(16)17/h1-8H,15H2,(H,19,20)(H4,16,17,18)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate ...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
					More data for this Ligand-Target Pair