Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'michael august' and Initial = 'e'   

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
Collagenase 3 (Homo sapiens (Human))	BDBM32416 (furan-2-carboxamide deriv., 28) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(OCc2cc(C)n[nH]2)cn1)C1CCCCC1 |r| Show InChI InChI=1S/C24H29N5O4/c1-15-12-17(29-28-15)14-32-18-8-9-19(26-13-18)20-10-11-21(33-20)23(30)27-22(24(31)25-2)16-6-4-3-5-7-16/h8-13,16,22H,3-7,14H2,1-2H3,(H,25,31)(H,27,30)(H,28,29)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50349174 (CHEMBL1807526) Show SMILES Cc1cccc2scc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c12 Show InChI InChI=1S/C20H18N2O3S/c1-13-5-4-8-17-19(13)14(12-26-17)11-22-16-7-3-2-6-15(16)21(20(22)25)10-9-18(23)24/h2-8,12H,9-11H2,1H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin G after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32417 (furan-2-carboxamide deriv., 29) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(OCc2cc(C)n(C)n2)cn1)C1CCCCC1 |r| Show InChI InChI=1S/C25H31N5O4/c1-16-13-18(29-30(16)3)15-33-19-9-10-20(27-14-19)21-11-12-22(34-21)24(31)28-23(25(32)26-2)17-7-5-4-6-8-17/h9-14,17,23H,4-8,15H2,1-3H3,(H,26,32)(H,28,31)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50349176 (CHEMBL1807531) Show SMILES Cc1cccc2n(C)cc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c12 Show InChI InChI=1S/C21H21N3O3/c1-14-6-5-9-18-20(14)15(12-22(18)2)13-24-17-8-4-3-7-16(17)23(21(24)27)11-10-19(25)26/h3-9,12H,10-11,13H2,1-2H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin G after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32412 (furan-2-carboxamide deriv., 24) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(OCc2cc3ccccc3o2)cn1)C1CCCCC1 |r| Show InChI InChI=1S/C28H29N3O5/c1-29-28(33)26(18-7-3-2-4-8-18)31-27(32)25-14-13-24(36-25)22-12-11-20(16-30-22)34-17-21-15-19-9-5-6-10-23(19)35-21/h5-6,9-16,18,26H,2-4,7-8,17H2,1H3,(H,29,33)(H,31,32)/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32414 (furan-2-carboxamide deriv., 26) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(OCc2ccn[nH]2)cn1)C1CCCCC1 |r| Show InChI InChI=1S/C23H27N5O4/c1-24-23(30)21(15-5-3-2-4-6-15)27-22(29)20-10-9-19(32-20)18-8-7-17(13-25-18)31-14-16-11-12-26-28-16/h7-13,15,21H,2-6,14H2,1H3,(H,24,30)(H,26,28)(H,27,29)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50349173 (CHEMBL1807638) Show SMILES Cc1c(C)c2cc(C)cc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c2n1C Show InChI InChI=1S/C23H25N3O3/c1-14-11-17(22-18(12-14)15(2)16(3)24(22)4)13-26-20-8-6-5-7-19(20)25(23(26)29)10-9-21(27)28/h5-8,11-12H,9-10,13H2,1-4H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin G after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50349183 (CHEMBL1807538) Show SMILES Cc1cn(C)c2c(Cn3c4ccccc4n(CCC(O)=O)c3=O)cccc12 Show InChI InChI=1S/C21H21N3O3/c1-14-12-22(2)20-15(6-5-7-16(14)20)13-24-18-9-4-3-8-17(18)23(21(24)27)11-10-19(25)26/h3-9,12H,10-11,13H2,1-2H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin G after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50349178 (CHEMBL1807535) Show SMILES Cc1cc(C)c2c(Cn3c4ccccc4n(CCC(O)=O)c3=O)nsc2c1 Show InChI InChI=1S/C20H19N3O3S/c1-12-9-13(2)19-14(21-27-17(19)10-12)11-23-16-6-4-3-5-15(16)22(20(23)26)8-7-18(24)25/h3-6,9-10H,7-8,11H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin G after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50349190 (CHEMBL1807641) Show SMILES Cc1c(C)c2ccc(Cl)c(Cn3c4ccccc4n(CCC(O)=O)c3=O)c2n1C Show InChI InChI=1S/C22H22ClN3O3/c1-13-14(2)24(3)21-15(13)8-9-17(23)16(21)12-26-19-7-5-4-6-18(19)25(22(26)29)11-10-20(27)28/h4-9H,10-12H2,1-3H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin G after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50349177 (CHEMBL1807639) Show SMILES COc1cc(Cn2c3ccccc3n(CCC(O)=O)c2=O)c2n(C)c(C)c(C)c2c1 Show InChI InChI=1S/C23H25N3O4/c1-14-15(2)24(3)22-16(11-17(30-4)12-18(14)22)13-26-20-8-6-5-7-19(20)25(23(26)29)10-9-21(27)28/h5-8,11-12H,9-10,13H2,1-4H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin G after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50349175 (CHEMBL1807637) Show SMILES Cc1c(C)c2cccc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c2n1C Show InChI InChI=1S/C22H23N3O3/c1-14-15(2)23(3)21-16(7-6-8-17(14)21)13-25-19-10-5-4-9-18(19)24(22(25)28)12-11-20(26)27/h4-10H,11-13H2,1-3H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin G after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50349186 (CHEMBL1807539) Show SMILES Cc1cn(C)c2cccc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c12 Show InChI InChI=1S/C21H21N3O3/c1-14-12-22(2)18-9-5-6-15(20(14)18)13-24-17-8-4-3-7-16(17)23(21(24)27)11-10-19(25)26/h3-9,12H,10-11,13H2,1-2H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin G after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50349184 (CHEMBL1807527) Show SMILES OC(=O)CCn1c2ccccc2n(Cc2csc3ccccc23)c1=O Show InChI InChI=1S/C19H16N2O3S/c22-18(23)9-10-20-15-6-2-3-7-16(15)21(19(20)24)11-13-12-25-17-8-4-1-5-14(13)17/h1-8,12H,9-11H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin G after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50349187 (CHEMBL1807528) Show SMILES OC(=O)CCn1c2ccccc2n(Cc2nsc3ccccc23)c1=O Show InChI InChI=1S/C18H15N3O3S/c22-17(23)9-10-20-14-6-2-3-7-15(14)21(18(20)24)11-13-12-5-1-4-8-16(12)25-19-13/h1-8H,9-11H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin G after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50349185 (CHEMBL1807529) Show SMILES Cn1cc(Cn2c3ccccc3n(CCC(O)=O)c2=O)c2ccccc12 Show InChI InChI=1S/C20H19N3O3/c1-21-12-14(15-6-2-3-7-16(15)21)13-23-18-9-5-4-8-17(18)22(20(23)26)11-10-19(24)25/h2-9,12H,10-11,13H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin G after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50349180 (CHEMBL1807530) Show SMILES OC(=O)CCn1c2ccccc2n(Cc2cccc3ccccc23)c1=O Show InChI InChI=1S/C21H18N2O3/c24-20(25)12-13-22-18-10-3-4-11-19(18)23(21(22)26)14-16-8-5-7-15-6-1-2-9-17(15)16/h1-11H,12-14H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin G after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50349188 (CHEMBL1807532) Show SMILES Cc1cccc2ncc(Cn3c4ccccc4n(CCC(O)=O)c3=O)n12 Show InChI InChI=1S/C19H18N4O3/c1-13-5-4-8-17-20-11-14(23(13)17)12-22-16-7-3-2-6-15(16)21(19(22)26)10-9-18(24)25/h2-8,11H,9-10,12H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin G after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50349189 (CHEMBL1807533) Show SMILES Cc1cccn2ncc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c12 Show InChI InChI=1S/C19H18N4O3/c1-13-5-4-9-23-18(13)14(11-20-23)12-22-16-7-3-2-6-15(16)21(19(22)26)10-8-17(24)25/h2-7,9,11H,8,10,12H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin G after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50349182 (CHEMBL1807534) Show SMILES Cc1cccc2c(cc(Cn3c4ccccc4n(CCC(O)=O)c3=O)n12)C#N Show InChI InChI=1S/C21H18N4O3/c1-14-5-4-8-17-15(12-22)11-16(25(14)17)13-24-19-7-3-2-6-18(19)23(21(24)28)10-9-20(26)27/h2-8,11H,9-10,13H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin G after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50349179 (CHEMBL1807537) Show SMILES Cc1cc2cccc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c2n1C Show InChI InChI=1S/C21H21N3O3/c1-14-12-15-6-5-7-16(20(15)22(14)2)13-24-18-9-4-3-8-17(18)23(21(24)27)11-10-19(25)26/h3-9,12H,10-11,13H2,1-2H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin G after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50349181 (CHEMBL1807536) Show SMILES Cn1ccc2cccc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c12 Show InChI InChI=1S/C20H19N3O3/c1-21-11-9-14-5-4-6-15(19(14)21)13-23-17-8-3-2-7-16(17)22(20(23)26)12-10-18(24)25/h2-9,11H,10,12-13H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin G after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32402 (furan-2-carboxamide deriv., 10) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)c2cccc(C)n2)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C27H30N4O4/c1-17-7-6-10-21(29-17)25(32)30-20-13-11-18(12-14-20)22-15-16-23(35-22)26(33)31-24(27(34)28-2)19-8-4-3-5-9-19/h6-7,10-16,19,24H,3-5,8-9H2,1-2H3,(H,28,34)(H,30,32)(H,31,33)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50349191 (CHEMBL1807642) Show SMILES Cc1cccc2scc(Cn3c(SCCCC(O)=O)nc4ccccc34)c12 Show InChI InChI=1S/C21H20N2O2S2/c1-14-6-4-9-18-20(14)15(13-27-18)12-23-17-8-3-2-7-16(17)22-21(23)26-11-5-10-19(24)25/h2-4,6-9,13H,5,10-12H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human chymase after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin G (Homo sapiens (Human))	BDBM50349172 (CHEMBL1807640) Show SMILES Cc1c(C)c2cc(Cl)cc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c2n1C Show InChI InChI=1S/C22H22ClN3O3/c1-13-14(2)24(3)21-15(10-16(23)11-17(13)21)12-26-19-7-5-4-6-18(19)25(22(26)29)9-8-20(27)28/h4-7,10-11H,8-9,12H2,1-3H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin G after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32415 (furan-2-carboxamide deriv., 27) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(OCc2ccn(C)n2)cn1)C1CCCCC1 |r| Show InChI InChI=1S/C24H29N5O4/c1-25-24(31)22(16-6-4-3-5-7-16)27-23(30)21-11-10-20(33-21)19-9-8-18(14-26-19)32-15-17-12-13-29(2)28-17/h8-14,16,22H,3-7,15H2,1-2H3,(H,25,31)(H,27,30)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50349172 (CHEMBL1807640) Show SMILES Cc1c(C)c2cc(Cl)cc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c2n1C Show InChI InChI=1S/C22H22ClN3O3/c1-13-14(2)24(3)21-15(10-16(23)11-17(13)21)12-26-19-7-5-4-6-18(19)25(22(26)29)9-8-20(27)28/h4-7,10-11H,8-9,12H2,1-3H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human chymase after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32399 (furan-2-carboxamide deriv., 7) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)c2ccn(C)n2)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C25H29N5O4/c1-26-25(33)22(17-6-4-3-5-7-17)28-24(32)21-13-12-20(34-21)16-8-10-18(11-9-16)27-23(31)19-14-15-30(2)29-19/h8-15,17,22H,3-7H2,1-2H3,(H,26,33)(H,27,31)(H,28,32)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32411 (furan-2-carboxamide deriv., 20) Show SMILES CCOc1ccc(nc1)-c1ccc(o1)C(=O)N[C@@H](C1CCCCC1)C(=O)NC |r| Show InChI InChI=1S/C21H27N3O4/c1-3-27-15-9-10-16(23-13-15)17-11-12-18(28-17)20(25)24-19(21(26)22-2)14-7-5-4-6-8-14/h9-14,19H,3-8H2,1-2H3,(H,22,26)(H,24,25)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32413 (furan-2-carboxamide deriv., 25) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(OCc2cccc(C)n2)cn1)C1CCCCC1 |r| Show InChI InChI=1S/C26H30N4O4/c1-17-7-6-10-19(29-17)16-33-20-11-12-21(28-15-20)22-13-14-23(34-22)25(31)30-24(26(32)27-2)18-8-4-3-5-9-18/h6-7,10-15,18,24H,3-5,8-9,16H2,1-2H3,(H,27,32)(H,30,31)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32398 (furan-2-carboxamide deriv., 6) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)c2ccc(C)o2)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C26H29N3O5/c1-16-8-13-21(33-16)24(30)28-19-11-9-17(10-12-19)20-14-15-22(34-20)25(31)29-23(26(32)27-2)18-6-4-3-5-7-18/h8-15,18,23H,3-7H2,1-2H3,(H,27,32)(H,28,30)(H,29,31)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32397 (furan-2-carboxamide deriv., 5) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)c2cc(C)c(C)o2)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C27H31N3O5/c1-16-15-23(34-17(16)2)26(32)29-20-11-9-18(10-12-20)21-13-14-22(35-21)25(31)30-24(27(33)28-3)19-7-5-4-6-8-19/h9-15,19,24H,4-8H2,1-3H3,(H,28,33)(H,29,32)(H,30,31)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50349173 (CHEMBL1807638) Show SMILES Cc1c(C)c2cc(C)cc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c2n1C Show InChI InChI=1S/C23H25N3O3/c1-14-11-17(22-18(12-14)15(2)16(3)24(22)4)13-26-20-8-6-5-7-19(20)25(23(26)29)10-9-21(27)28/h5-8,11-12H,9-10,13H2,1-4H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human chymase after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50349174 (CHEMBL1807526) Show SMILES Cc1cccc2scc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c12 Show InChI InChI=1S/C20H18N2O3S/c1-13-5-4-8-17-19(13)14(12-26-17)11-22-16-7-3-2-6-15(16)21(20(22)25)10-9-18(23)24/h2-8,12H,9-11H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human chymase after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32401 (furan-2-carboxamide deriv., 9) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)c2cc(C)n[nH]2)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C25H29N5O4/c1-15-14-19(30-29-15)23(31)27-18-10-8-16(9-11-18)20-12-13-21(34-20)24(32)28-22(25(33)26-2)17-6-4-3-5-7-17/h8-14,17,22H,3-7H2,1-2H3,(H,26,33)(H,27,31)(H,28,32)(H,29,30)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50349175 (CHEMBL1807637) Show SMILES Cc1c(C)c2cccc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c2n1C Show InChI InChI=1S/C22H23N3O3/c1-14-15(2)23(3)21-16(7-6-8-17(14)21)13-25-19-10-5-4-9-18(19)24(22(25)28)12-11-20(26)27/h4-10H,11-13H2,1-3H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human chymase after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50349176 (CHEMBL1807531) Show SMILES Cc1cccc2n(C)cc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c12 Show InChI InChI=1S/C21H21N3O3/c1-14-6-5-9-18-20(14)15(12-22(18)2)13-24-17-8-4-3-7-16(17)23(21(24)27)11-10-19(25)26/h3-9,12H,10-11,13H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human chymase after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32400 (furan-2-carboxamide deriv., 8) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)c2cnn(C)c2)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C25H29N5O4/c1-26-25(33)22(17-6-4-3-5-7-17)29-24(32)21-13-12-20(34-21)16-8-10-19(11-9-16)28-23(31)18-14-27-30(2)15-18/h8-15,17,22H,3-7H2,1-2H3,(H,26,33)(H,28,31)(H,29,32)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50349192 (CHEMBL1807643) Show SMILES Cc1cccc2scc(Cn3c4ccccc4n(CCCC(O)=O)c3=O)c12 Show InChI InChI=1S/C21H20N2O3S/c1-14-6-4-9-18-20(14)15(13-27-18)12-23-17-8-3-2-7-16(17)22(21(23)26)11-5-10-19(24)25/h2-4,6-9,13H,5,10-12H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human chymase after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM32410 (furan-2-carboxamide deriv., 19) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(OC)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C21H26N2O4/c1-22-21(25)19(15-6-4-3-5-7-15)23-20(24)18-13-12-17(27-18)14-8-10-16(26-2)11-9-14/h8-13,15,19H,3-7H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50349177 (CHEMBL1807639) Show SMILES COc1cc(Cn2c3ccccc3n(CCC(O)=O)c2=O)c2n(C)c(C)c(C)c2c1 Show InChI InChI=1S/C23H25N3O4/c1-14-15(2)24(3)22-16(11-17(30-4)12-18(14)22)13-26-20-8-6-5-7-19(20)25(23(26)29)10-9-21(27)28/h5-8,11-12H,9-10,13H2,1-4H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human chymase after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32403 (furan-2-carboxamide deriv., 12) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(Cl)cn1)C1CCCCC1 |r| Show InChI InChI=1S/C19H22ClN3O3/c1-21-19(25)17(12-5-3-2-4-6-12)23-18(24)16-10-9-15(26-16)14-8-7-13(20)11-22-14/h7-12,17H,2-6H2,1H3,(H,21,25)(H,23,24)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	245	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50349178 (CHEMBL1807535) Show SMILES Cc1cc(C)c2c(Cn3c4ccccc4n(CCC(O)=O)c3=O)nsc2c1 Show InChI InChI=1S/C20H19N3O3S/c1-12-9-13(2)19-14(21-27-17(19)10-12)11-23-16-6-4-3-5-15(16)22(20(23)26)8-7-18(24)25/h3-6,9-10H,7-8,11H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human chymase after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32408 (furan-2-carboxamide deriv., 17) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(C)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C21H26N2O3/c1-14-8-10-15(11-9-14)17-12-13-18(26-17)20(24)23-19(21(25)22-2)16-6-4-3-5-7-16/h8-13,16,19H,3-7H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32395 (furan-2-carboxamide deriv., 1) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(Cl)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C20H23ClN2O3/c1-22-20(25)18(14-5-3-2-4-6-14)23-19(24)17-12-11-16(26-17)13-7-9-15(21)10-8-13/h7-12,14,18H,2-6H2,1H3,(H,22,25)(H,23,24)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM32406 (furan-2-carboxamide deriv., 15) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NS(C)(=O)=O)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C21H27N3O5S/c1-22-21(26)19(15-6-4-3-5-7-15)23-20(25)18-13-12-17(29-18)14-8-10-16(11-9-14)24-30(2,27)28/h8-13,15,19,24H,3-7H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32407 (furan-2-carboxamide deriv., 16) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(cc1)S(=O)(=O)NC)C1CCCCC1 |r| Show InChI InChI=1S/C21H27N3O5S/c1-22-21(26)19(15-6-4-3-5-7-15)24-20(25)18-13-12-17(29-18)14-8-10-16(11-9-14)30(27,28)23-2/h8-13,15,19,23H,3-7H2,1-2H3,(H,22,26)(H,24,25)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50349179 (CHEMBL1807537) Show SMILES Cc1cc2cccc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c2n1C Show InChI InChI=1S/C21H21N3O3/c1-14-12-15-6-5-7-16(20(15)22(14)2)13-24-18-9-4-3-8-17(18)23(21(24)27)11-10-19(25)26/h3-9,12H,10-11,13H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human chymase after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50349180 (CHEMBL1807530) Show SMILES OC(=O)CCn1c2ccccc2n(Cc2cccc3ccccc23)c1=O Show InChI InChI=1S/C21H18N2O3/c24-20(25)12-13-22-18-10-3-4-11-19(18)23(21(22)26)14-16-8-5-7-15-6-1-2-9-17(15)16/h1-11H,12-14H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human chymase after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM32396 (furan-2-carboxamide deriv., 2) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)c2cc3ccccc3o2)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C29H29N3O5/c1-30-29(35)26(19-7-3-2-4-8-19)32-27(33)24-16-15-23(36-24)18-11-13-21(14-12-18)31-28(34)25-17-20-9-5-6-10-22(20)37-25/h5-6,9-17,19,26H,2-4,7-8H2,1H3,(H,30,35)(H,31,34)(H,32,33)/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	7.5	37
Boehringer Ingelheim Pharmaceuticals					Assay Description MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy tr...				Bioorg Med Chem Lett 19: 5321-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.151 BindingDB Entry DOI: 10.7270/Q22B8WCD
					More data for this Ligand-Target Pair				3D Structure (crystal)

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