Compile Data Set for Download or QSAR

Found 222 hits with Last Name = 'menard' and Initial = 'r'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES NC(=N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 42: 3251-64 (1999) Article DOI: 10.1021/jm9806998 BindingDB Entry DOI: 10.7270/Q2CF9QSX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM50079881 (3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[1-(1-imi...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(Cc1ccc2ccc(cc2c1)C(N)=[NH2+])C(O)=O Show InChI InChI=1S/C27H30N4O3/c1-17(28)31-12-10-24(11-13-31)34-23-8-6-20(7-9-23)25(27(32)33)15-18-2-3-19-4-5-21(26(29)30)16-22(19)14-18/h2-9,14,16,24-25,28H,10-13,15H2,1H3,(H3,29,30)(H,32,33)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor Xa				J Med Chem 42: 3251-64 (1999) Article DOI: 10.1021/jm9806998 BindingDB Entry DOI: 10.7270/Q2CF9QSX
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079882 (1-[(R)-5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-...) Show SMILES C[C@H]1CNc2cc(ccc2C1)S(=O)(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N1CCCCC1C(O)=O Show InChI InChI=1S/C22H34N6O5S/c1-14-11-15-7-8-16(12-18(15)26-13-14)34(32,33)27-17(5-4-9-25-22(23)24)20(29)28-10-3-2-6-19(28)21(30)31/h7-8,12,14,17,19,26-27H,2-6,9-11,13H2,1H3,(H,30,31)(H4,23,24,25)/p+1/t14-,17-,19?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 42: 3251-64 (1999) Article DOI: 10.1021/jm9806998 BindingDB Entry DOI: 10.7270/Q2CF9QSX
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070632 (4-[2-(3-Benzenesulfonylamino-phenoxy)-ethylamino]-...) Show SMILES O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccccc1 Show InChI InChI=1S/C19H19N3O3S/c23-26(24,19-7-2-1-3-8-19)22-17-5-4-6-18(15-17)25-14-13-21-16-9-11-20-12-10-16/h1-12,15,22H,13-14H2,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 42: 3251-64 (1999) Article DOI: 10.1021/jm9806998 BindingDB Entry DOI: 10.7270/Q2CF9QSX
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50080477 (3-[(S)-3-(Naphthalene-2-sulfonylamino)-2-oxo-pyrro...) Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccccc4c3)C2=O)c1 Show InChI InChI=1S/C22H22N4O3S/c23-21(24)18-7-3-4-15(12-18)14-26-11-10-20(22(26)27)25-30(28,29)19-9-8-16-5-1-2-6-17(16)13-19/h1-9,12-13,20,25H,10-11,14H2,(H3,23,24)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor Xa				J Med Chem 42: 3251-64 (1999) Article DOI: 10.1021/jm9806998 BindingDB Entry DOI: 10.7270/Q2CF9QSX
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM86095 (2-Cyanopyrrolidine Derivative, 24) Show SMILES CC(C)CC(NC(=O)C(=C\c1ccccc1)\c1ccccc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C26H29N3O2/c1-19(2)16-24(26(31)29-15-9-14-22(29)18-27)28-25(30)23(21-12-7-4-8-13-21)17-20-10-5-3-6-11-20/h3-8,10-13,17,19,22,24H,9,14-16H2,1-2H3,(H,28,30)/b23-17+/t22-,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.30E+3	-29.9	n/a	n/a	n/a	n/a	n/a	6.0	23
The M S University of Baroda					Assay Description The fluorescence for the assay was monitored on a Varian Gemini spectrofluorometer with the excitation and emission wavelengths at 380 and 440nm. Th...				J Enzyme Inhib Med Chem 23: 190-7 (2008) Article DOI: 10.1080/14756360701504842 BindingDB Entry DOI: 10.7270/Q2DV1HFC
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM86096 (2-Cyanopyrrolidine Derivative, 25) Show SMILES CC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C18H23N3O2/c1-13(2)11-16(18(23)21-10-6-9-15(21)12-19)20-17(22)14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-11H2,1-2H3,(H,20,22)/t15-,16?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.60E+3	-28.7	n/a	n/a	n/a	n/a	n/a	6.0	23
The M S University of Baroda					Assay Description The fluorescence for the assay was monitored on a Varian Gemini spectrofluorometer with the excitation and emission wavelengths at 380 and 440nm. Th...				J Enzyme Inhib Med Chem 23: 190-7 (2008) Article DOI: 10.1080/14756360701504842 BindingDB Entry DOI: 10.7270/Q2DV1HFC
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM86094 (2-Cyanopyrrolidine Derivative, 23) Show SMILES COc1ccc(\C=C\C(=O)NC(CC(C)C)C(=O)N2CCC[C@H]2C#N)cc1 |r| Show InChI InChI=1S/C21H27N3O3/c1-15(2)13-19(21(26)24-12-4-5-17(24)14-22)23-20(25)11-8-16-6-9-18(27-3)10-7-16/h6-11,15,17,19H,4-5,12-13H2,1-3H3,(H,23,25)/b11-8+/t17-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.70E+4	-23.7	n/a	n/a	n/a	n/a	n/a	6.0	23
The M S University of Baroda					Assay Description The fluorescence for the assay was monitored on a Varian Gemini spectrofluorometer with the excitation and emission wavelengths at 380 and 440nm. Th...				J Enzyme Inhib Med Chem 23: 190-7 (2008) Article DOI: 10.1080/14756360701504842 BindingDB Entry DOI: 10.7270/Q2DV1HFC
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM86099 (2-Cyanopyrrolidine Derivative, 28) Show SMILES O=C(NC(Cc1ccccc1)C(=O)N1CCC[C@H]1C#N)C(=C\c1ccccc1)\c1ccccc1 |r| Show InChI InChI=1S/C29H27N3O2/c30-21-25-17-10-18-32(25)29(34)27(20-23-13-6-2-7-14-23)31-28(33)26(24-15-8-3-9-16-24)19-22-11-4-1-5-12-22/h1-9,11-16,19,25,27H,10,17-18,20H2,(H,31,33)/b26-19+/t25-,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.50E+4	-23.4	n/a	n/a	n/a	n/a	n/a	6.0	23
The M S University of Baroda					Assay Description The fluorescence for the assay was monitored on a Varian Gemini spectrofluorometer with the excitation and emission wavelengths at 380 and 440nm. Th...				J Enzyme Inhib Med Chem 23: 190-7 (2008) Article DOI: 10.1080/14756360701504842 BindingDB Entry DOI: 10.7270/Q2DV1HFC
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM86093 (2-Cyanopyrrolidine Derivative, 22) Show SMILES CC(C)CC(NC(=O)\C=C\c1ccccc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C20H25N3O2/c1-15(2)13-18(20(25)23-12-6-9-17(23)14-21)22-19(24)11-10-16-7-4-3-5-8-16/h3-5,7-8,10-11,15,17-18H,6,9,12-13H2,1-2H3,(H,22,24)/b11-10+/t17-,18?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.50E+4	-23.1	n/a	n/a	n/a	n/a	n/a	6.0	23
The M S University of Baroda					Assay Description The fluorescence for the assay was monitored on a Varian Gemini spectrofluorometer with the excitation and emission wavelengths at 380 and 440nm. Th...				J Enzyme Inhib Med Chem 23: 190-7 (2008) Article DOI: 10.1080/14756360701504842 BindingDB Entry DOI: 10.7270/Q2DV1HFC
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM86094 (2-Cyanopyrrolidine Derivative, 23) Show SMILES COc1ccc(\C=C\C(=O)NC(CC(C)C)C(=O)N2CCC[C@H]2C#N)cc1 |r| Show InChI InChI=1S/C21H27N3O3/c1-15(2)13-19(21(26)24-12-4-5-17(24)14-22)23-20(25)11-8-16-6-9-18(27-3)10-7-16/h6-11,15,17,19H,4-5,12-13H2,1-3H3,(H,23,25)/b11-8+/t17-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.20E+4	-22.9	n/a	n/a	n/a	n/a	n/a	6.0	23
The M S University of Baroda					Assay Description The fluorescence for the assay was monitored on a Varian Gemini spectrofluorometer with the excitation and emission wavelengths at 380 and 440nm. Th...				J Enzyme Inhib Med Chem 23: 190-7 (2008) Article DOI: 10.1080/14756360701504842 BindingDB Entry DOI: 10.7270/Q2DV1HFC
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM86097 (2-Cyanopyrrolidine Derivative, 26) Show SMILES O=C(NC(Cc1ccccc1)C(=O)N1CCC[C@H]1C#N)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C23H23N3O2/c24-17-20-12-7-15-26(20)23(28)21(16-19-10-5-2-6-11-19)25-22(27)14-13-18-8-3-1-4-9-18/h1-6,8-11,13-14,20-21H,7,12,15-16H2,(H,25,27)/b14-13+/t20-,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-22.7	n/a	n/a	n/a	n/a	n/a	6.0	23
The M S University of Baroda					Assay Description The fluorescence for the assay was monitored on a Varian Gemini spectrofluorometer with the excitation and emission wavelengths at 380 and 440nm. Th...				J Enzyme Inhib Med Chem 23: 190-7 (2008) Article DOI: 10.1080/14756360701504842 BindingDB Entry DOI: 10.7270/Q2DV1HFC
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM86098 (2-Cyanopyrrolidine Derivative, 27) Show SMILES COc1ccc(\C=C\C(=O)NC(Cc2ccccc2)C(=O)N2CCC[C@H]2C#N)cc1 |r| Show InChI InChI=1S/C24H25N3O3/c1-30-21-12-9-18(10-13-21)11-14-23(28)26-22(16-19-6-3-2-4-7-19)24(29)27-15-5-8-20(27)17-25/h2-4,6-7,9-14,20,22H,5,8,15-16H2,1H3,(H,26,28)/b14-11+/t20-,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-22.7	n/a	n/a	n/a	n/a	n/a	6.0	23
The M S University of Baroda					Assay Description The fluorescence for the assay was monitored on a Varian Gemini spectrofluorometer with the excitation and emission wavelengths at 380 and 440nm. Th...				J Enzyme Inhib Med Chem 23: 190-7 (2008) Article DOI: 10.1080/14756360701504842 BindingDB Entry DOI: 10.7270/Q2DV1HFC
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM86100 (2-Cyanopyrrolidine Derivative, 29) Show SMILES O=C(NC(Cc1ccccc1)C(=O)N1CCC[C@H]1C#N)c1ccccc1 |r| Show InChI InChI=1S/C21H21N3O2/c22-15-18-12-7-13-24(18)21(26)19(14-16-8-3-1-4-9-16)23-20(25)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-14H2,(H,23,25)/t18-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-22.7	n/a	n/a	n/a	n/a	n/a	6.0	23
The M S University of Baroda					Assay Description The fluorescence for the assay was monitored on a Varian Gemini spectrofluorometer with the excitation and emission wavelengths at 380 and 440nm. Th...				J Enzyme Inhib Med Chem 23: 190-7 (2008) Article DOI: 10.1080/14756360701504842 BindingDB Entry DOI: 10.7270/Q2DV1HFC
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM86100 (2-Cyanopyrrolidine Derivative, 29) Show SMILES O=C(NC(Cc1ccccc1)C(=O)N1CCC[C@H]1C#N)c1ccccc1 |r| Show InChI InChI=1S/C21H21N3O2/c22-15-18-12-7-13-24(18)21(26)19(14-16-8-3-1-4-9-16)23-20(25)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-14H2,(H,23,25)/t18-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-22.7	n/a	n/a	n/a	n/a	n/a	6.0	23
The M S University of Baroda					Assay Description The fluorescence for the assay was monitored on a Varian Gemini spectrofluorometer with the excitation and emission wavelengths at 380 and 440nm. Th...				J Enzyme Inhib Med Chem 23: 190-7 (2008) Article DOI: 10.1080/14756360701504842 BindingDB Entry DOI: 10.7270/Q2DV1HFC
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM86098 (2-Cyanopyrrolidine Derivative, 27) Show SMILES COc1ccc(\C=C\C(=O)NC(Cc2ccccc2)C(=O)N2CCC[C@H]2C#N)cc1 |r| Show InChI InChI=1S/C24H25N3O3/c1-30-21-12-9-18(10-13-21)11-14-23(28)26-22(16-19-6-3-2-4-7-19)24(29)27-15-5-8-20(27)17-25/h2-4,6-7,9-14,20,22H,5,8,15-16H2,1H3,(H,26,28)/b14-11+/t20-,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-22.7	n/a	n/a	n/a	n/a	n/a	6.0	23
The M S University of Baroda					Assay Description The fluorescence for the assay was monitored on a Varian Gemini spectrofluorometer with the excitation and emission wavelengths at 380 and 440nm. Th...				J Enzyme Inhib Med Chem 23: 190-7 (2008) Article DOI: 10.1080/14756360701504842 BindingDB Entry DOI: 10.7270/Q2DV1HFC
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM86097 (2-Cyanopyrrolidine Derivative, 26) Show SMILES O=C(NC(Cc1ccccc1)C(=O)N1CCC[C@H]1C#N)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C23H23N3O2/c24-17-20-12-7-15-26(20)23(28)21(16-19-10-5-2-6-11-19)25-22(27)14-13-18-8-3-1-4-9-18/h1-6,8-11,13-14,20-21H,7,12,15-16H2,(H,25,27)/b14-13+/t20-,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-22.7	n/a	n/a	n/a	n/a	n/a	6.0	23
The M S University of Baroda					Assay Description The fluorescence for the assay was monitored on a Varian Gemini spectrofluorometer with the excitation and emission wavelengths at 380 and 440nm. Th...				J Enzyme Inhib Med Chem 23: 190-7 (2008) Article DOI: 10.1080/14756360701504842 BindingDB Entry DOI: 10.7270/Q2DV1HFC
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM86096 (2-Cyanopyrrolidine Derivative, 25) Show SMILES CC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C18H23N3O2/c1-13(2)11-16(18(23)21-10-6-9-15(21)12-19)20-17(22)14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-11H2,1-2H3,(H,20,22)/t15-,16?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-22.7	n/a	n/a	n/a	n/a	n/a	6.0	23
The M S University of Baroda					Assay Description The fluorescence for the assay was monitored on a Varian Gemini spectrofluorometer with the excitation and emission wavelengths at 380 and 440nm. Th...				J Enzyme Inhib Med Chem 23: 190-7 (2008) Article DOI: 10.1080/14756360701504842 BindingDB Entry DOI: 10.7270/Q2DV1HFC
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM86095 (2-Cyanopyrrolidine Derivative, 24) Show SMILES CC(C)CC(NC(=O)C(=C\c1ccccc1)\c1ccccc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C26H29N3O2/c1-19(2)16-24(26(31)29-15-9-14-22(29)18-27)28-25(30)23(21-12-7-4-8-13-21)17-20-10-5-3-6-11-20/h3-8,10-13,17,19,22,24H,9,14-16H2,1-2H3,(H,28,30)/b23-17+/t22-,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-22.7	n/a	n/a	n/a	n/a	n/a	6.0	23
The M S University of Baroda					Assay Description The fluorescence for the assay was monitored on a Varian Gemini spectrofluorometer with the excitation and emission wavelengths at 380 and 440nm. Th...				J Enzyme Inhib Med Chem 23: 190-7 (2008) Article DOI: 10.1080/14756360701504842 BindingDB Entry DOI: 10.7270/Q2DV1HFC
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM86093 (2-Cyanopyrrolidine Derivative, 22) Show SMILES CC(C)CC(NC(=O)\C=C\c1ccccc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C20H25N3O2/c1-15(2)13-18(20(25)23-12-6-9-17(23)14-21)22-19(24)11-10-16-7-4-3-5-8-16/h3-5,7-8,10-11,15,17-18H,6,9,12-13H2,1-2H3,(H,22,24)/b11-10+/t17-,18?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-22.7	n/a	n/a	n/a	n/a	n/a	6.0	23
The M S University of Baroda					Assay Description The fluorescence for the assay was monitored on a Varian Gemini spectrofluorometer with the excitation and emission wavelengths at 380 and 440nm. Th...				J Enzyme Inhib Med Chem 23: 190-7 (2008) Article DOI: 10.1080/14756360701504842 BindingDB Entry DOI: 10.7270/Q2DV1HFC
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM86099 (2-Cyanopyrrolidine Derivative, 28) Show SMILES O=C(NC(Cc1ccccc1)C(=O)N1CCC[C@H]1C#N)C(=C\c1ccccc1)\c1ccccc1 |r| Show InChI InChI=1S/C29H27N3O2/c30-21-25-17-10-18-32(25)29(34)27(20-23-13-6-2-7-14-23)31-28(33)26(24-15-8-3-9-16-24)19-22-11-4-1-5-12-22/h1-9,11-16,19,25,27H,10,17-18,20H2,(H,31,33)/b26-19+/t25-,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-22.7	n/a	n/a	n/a	n/a	n/a	6.0	23
The M S University of Baroda					Assay Description The fluorescence for the assay was monitored on a Varian Gemini spectrofluorometer with the excitation and emission wavelengths at 380 and 440nm. Th...				J Enzyme Inhib Med Chem 23: 190-7 (2008) Article DOI: 10.1080/14756360701504842 BindingDB Entry DOI: 10.7270/Q2DV1HFC
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM21642 ((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...) Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020833 (CHEMBL326137 | [(3-Chloro-2-mercapto-benzoyl)-cycl...) Show SMILES OC(=O)CN(C1CCCC1)C(=O)c1cccc(Cl)c1S Show InChI InChI=1S/C14H16ClNO3S/c15-11-7-3-6-10(13(11)20)14(19)16(8-12(17)18)9-4-1-2-5-9/h3,6-7,9,20H,1-2,4-5,8H2,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020840 (CHEMBL113276 | [Cyclopentyl-(2-mercapto-3-methoxy-...) Show SMILES COc1cccc(C(=O)N(CC(O)=O)C2CCCC2)c1S Show InChI InChI=1S/C15H19NO4S/c1-20-12-8-4-7-11(14(12)21)15(19)16(9-13(17)18)10-5-2-3-6-10/h4,7-8,10,21H,2-3,5-6,9H2,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020829 (CHEMBL114242 | [(2-Acetylsulfanyl-3-fluoro-benzoyl...) Show SMILES CC(=O)Sc1c(F)cccc1C(=O)N(CC(O)=O)C1CCCC1 Show InChI InChI=1S/C16H18FNO4S/c1-10(19)23-15-12(7-4-8-13(15)17)16(22)18(9-14(20)21)11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020830 (CHEMBL263056 | [Cyclopentyl-(2-mercapto-3-trifluor...) Show SMILES OC(=O)CN(C1CCCC1)C(=O)c1cccc(c1S)C(F)(F)F Show InChI InChI=1S/C15H16F3NO3S/c16-15(17,18)11-7-3-6-10(13(11)23)14(22)19(8-12(20)21)9-4-1-2-5-9/h3,6-7,9,23H,1-2,4-5,8H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.00100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020824 (CHEMBL325659 | [Cyclopentyl-(3-fluoro-2-mercapto-b...) Show SMILES OC(=O)CN(C1CCCC1)C(=O)c1cccc(F)c1S Show InChI InChI=1S/C14H16FNO3S/c15-11-7-3-6-10(13(11)20)14(19)16(8-12(17)18)9-4-1-2-5-9/h3,6-7,9,20H,1-2,4-5,8H2,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020831 (CHEMBL113315 | [(2-Acetylsulfanyl-3-methyl-benzoyl...) Show SMILES CC(=O)Sc1c(C)cccc1C(=O)N(CC(O)=O)C1CCCC1 Show InChI InChI=1S/C17H21NO4S/c1-11-6-5-9-14(16(11)23-12(2)19)17(22)18(10-15(20)21)13-7-3-4-8-13/h5-6,9,13H,3-4,7-8,10H2,1-2H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020842 (CHEMBL114294 | [Cyclopentyl-(3,5-dichloro-2-mercap...) Show SMILES OC(=O)CN(C1CCCC1)C(=O)c1cc(Cl)cc(Cl)c1S Show InChI InChI=1S/C14H15Cl2NO3S/c15-8-5-10(13(21)11(16)6-8)14(20)17(7-12(18)19)9-3-1-2-4-9/h5-6,9,21H,1-4,7H2,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.00400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020841 (CHEMBL324242 | [Cyclopentyl-(2-mercapto-3-methyl-b...) Show SMILES Cc1cccc(C(=O)N(CC(O)=O)C2CCCC2)c1S Show InChI InChI=1S/C15H19NO3S/c1-10-5-4-8-12(14(10)20)15(19)16(9-13(17)18)11-6-2-3-7-11/h4-5,8,11,20H,2-3,6-7,9H2,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020825 (CHEMBL112168 | [Cyclopentyl-(2-mercapto-benzoyl)-a...) Show SMILES OC(=O)CN(C1CCCC1)C(=O)c1ccccc1S Show InChI InChI=1S/C14H17NO3S/c16-13(17)9-15(10-5-1-2-6-10)14(18)11-7-3-4-8-12(11)19/h3-4,7-8,10,19H,1-2,5-6,9H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020823 (CHEMBL112477 | [(2-Acetylsulfanyl-benzoyl)-cyclope...) Show SMILES CC(=O)Sc1ccccc1C(=O)N(CC(O)=O)C1CCCC1 Show InChI InChI=1S/C16H19NO4S/c1-11(18)22-14-9-5-4-8-13(14)16(21)17(10-15(19)20)12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00900	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020821 (CHEMBL113612 | [Cyclopentyl-(4-mercapto-benzoyl)-a...) Show SMILES OC(=O)CN(C1CCCC1)C(=O)c1ccc(S)cc1 Show InChI InChI=1S/C14H17NO3S/c16-13(17)9-15(11-3-1-2-4-11)14(18)10-5-7-12(19)8-6-10/h5-8,11,19H,1-4,9H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0210	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020832 (CHEMBL112589 | [(4-Acetylsulfanyl-benzoyl)-cyclope...) Show SMILES CC(=O)Sc1ccc(cc1)C(=O)N(CC(O)=O)C1CCCC1 Show InChI InChI=1S/C16H19NO4S/c1-11(18)22-14-8-6-12(7-9-14)16(21)17(10-15(19)20)13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0210	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020827 (CHEMBL324898 | [Cyclopentyl-(3-mercapto-benzoyl)-a...) Show SMILES OC(=O)CN(C1CCCC1)C(=O)c1cccc(S)c1 Show InChI InChI=1S/C14H17NO3S/c16-13(17)9-15(11-5-1-2-6-11)14(18)10-4-3-7-12(19)8-10/h3-4,7-8,11,19H,1-2,5-6,9H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0250	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020838 (CHEMBL323879 | [(3-Acetylsulfanyl-benzoyl)-cyclope...) Show SMILES CC(=O)Sc1cccc(c1)C(=O)N(CC(O)=O)C1CCCC1 Show InChI InChI=1S/C16H19NO4S/c1-11(18)22-14-8-4-5-12(9-14)16(21)17(10-15(19)20)13-6-2-3-7-13/h4-5,8-9,13H,2-3,6-7,10H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0280	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020820 (CHEMBL112922 | [(5-Chloro-2-mercapto-benzoyl)-cycl...) Show SMILES OC(=O)CN(C1CCCC1)C(=O)c1cc(Cl)ccc1S Show InChI InChI=1S/C14H16ClNO3S/c15-9-5-6-12(20)11(7-9)14(19)16(8-13(17)18)10-3-1-2-4-10/h5-7,10,20H,1-4,8H2,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020837 (CHEMBL114018 | [(2-Acetoxy-3,5-dichloro-benzoyl)-c...) Show SMILES CCOC(=O)CN(C1CCCC1)C(=O)c1cc(Cl)cc(Cl)c1OC(C)=O Show InChI InChI=1S/C18H21Cl2NO5/c1-3-25-16(23)10-21(13-6-4-5-7-13)18(24)14-8-12(19)9-15(20)17(14)26-11(2)22/h8-9,13H,3-7,10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020836 (CHEMBL115153 | N-Carboxymethyl-N-cyclopentyl-phtha...) Show SMILES OC(=O)CN(C1CCCC1)C(=O)c1ccccc1C(O)=O Show InChI InChI=1S/C15H17NO5/c17-13(18)9-16(10-5-1-2-6-10)14(19)11-7-3-4-8-12(11)15(20)21/h3-4,7-8,10H,1-2,5-6,9H2,(H,17,18)(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121904 (CHEMBL30401 | [(S)-1-((3S,4R)-2-Oxo-4-phenoxy-azet...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C26H25N3O5/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin S				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020839 (CHEMBL324703 | [Cyclopentyl-(2-nitro-benzoyl)-amin...) Show SMILES OC(=O)CN(C1CCCC1)C(=O)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C14H16N2O5/c17-13(18)9-15(10-5-1-2-6-10)14(19)11-7-3-4-8-12(11)16(20)21/h3-4,7-8,10H,1-2,5-6,9H2,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50121907 (CHEMBL31788 | [(S)-1-((3R,4S)-2-Oxo-4-phenylsulfan...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)Sc1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C26H25N3O4S/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human Cathepsin L				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50121902 (CHEMBL287630 | [(S)-1-((2S,3R)-2-Benzenesulfonyl-4...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)S(=O)(=O)c1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C26H25N3O6S/c30-23(28-22-24(31)29-25(22)36(33,34)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human Cathepsin L				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020828 (CHEMBL324676 | [Cyclopentyl-(3,5-dichloro-2-hydrox...) Show SMILES OC(=O)CN(C1CCCC1)C(=O)c1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C14H15Cl2NO4/c15-8-5-10(13(20)11(16)6-8)14(21)17(7-12(18)19)9-3-1-2-4-9/h5-6,9,20H,1-4,7H2,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020834 (CHEMBL325305 | [Cyclopentyl-(3-isopropyl-2-mercapt...) Show SMILES CC(C)c1cccc(C(=O)N(CC(O)=O)C2CCCC2)c1S Show InChI InChI=1S/C17H23NO3S/c1-11(2)13-8-5-9-14(16(13)22)17(21)18(10-15(19)20)12-6-3-4-7-12/h5,8-9,11-12,22H,3-4,6-7,10H2,1-2H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50121041 (CHEMBL326093 | [(S)-1-((R)-4,7-Dioxo-4-(S)-oxo-4la...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H23N3O6S/c26-19(24-18-20(27)25-11-12-32(29,30)21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)31-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin K cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121039 (CHEMBL114410 | [(S)-2-Cyclohexyl-1-((5S,6R)-4,4,7-...) Show SMILES O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H29N3O6S/c26-19(24-18-20(27)25-11-12-32(29,30)21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)31-14-16-9-5-2-6-10-16/h2,5-6,9-10,15,17-18,21H,1,3-4,7-8,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin S cysteine protease by using Cbz-Val-Arg-AMC				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Procathepsin L (Rattus norvegicus)	BDBM50121039 (CHEMBL114410 | [(S)-2-Cyclohexyl-1-((5S,6R)-4,4,7-...) Show SMILES O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H29N3O6S/c26-19(24-18-20(27)25-11-12-32(29,30)21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)31-14-16-9-5-2-6-10-16/h2,5-6,9-10,15,17-18,21H,1,3-4,7-8,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50367254 (ENALAPRILAT) Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme in Hog plasma				J Med Chem 33: 1606-15 (1990) BindingDB Entry DOI: 10.7270/Q2CF9QPK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Procathepsin L (Rattus norvegicus)	BDBM50121041 (CHEMBL326093 | [(S)-1-((R)-4,7-Dioxo-4-(S)-oxo-4la...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2N(CCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H23N3O6S/c26-19(24-18-20(27)25-11-12-32(29,30)21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)31-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair

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