Compile Data Set for Download or QSAR

Found 168 hits with Last Name = 'schröer' and Initial = 's'   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50225411 ((R)-2-(N-((6-fluoropyridin-3-yl)methyl)-4-methoxyp...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(F)nc1)[C@H](C(C)C)C(=O)NO Show InChI InChI=1S/C18H22FN3O5S/c1-12(2)17(18(23)21-24)22(11-13-4-9-16(19)20-10-13)28(25,26)15-7-5-14(27-3)6-8-15/h4-10,12,17,24H,11H2,1-3H3,(H,21,23)/t17-/m1/s1	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP9				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50258696 ((S)-1-[4-(Allyloxy)benzyl]-5-[1-(2-methoxymethylpy...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCC=C)cc3)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C24H26N2O6S/c1-3-13-32-19-8-6-17(7-9-19)15-25-22-11-10-20(14-21(22)23(27)24(25)28)33(29,30)26-12-4-5-18(26)16-31-2/h3,6-11,14,18H,1,4-5,12-13,15-16H2,2H3/t18-/m0/s1	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 7 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins				J Med Chem 52: 3484-95 (2009) Article DOI: 10.1021/jm8015014 BindingDB Entry DOI: 10.7270/Q2FN163D
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50225407 ((R)-2-(4-(2-fluoroethoxy)phenylsulphonamido-N-(pyr...) Show SMILES CC(C)[C@@H](N(Cc1cccnc1)S(=O)(=O)c1ccc(OCCF)cc1)C(=O)NO Show InChI InChI=1S/C19H24FN3O5S/c1-14(2)18(19(24)22-25)23(13-15-4-3-10-21-12-15)29(26,27)17-7-5-16(6-8-17)28-11-9-20/h3-8,10,12,14,18,25H,9,11,13H2,1-2H3,(H,22,24)/t18-/m1/s1	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP13				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50225411 ((R)-2-(N-((6-fluoropyridin-3-yl)methyl)-4-methoxyp...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(F)nc1)[C@H](C(C)C)C(=O)NO Show InChI InChI=1S/C18H22FN3O5S/c1-12(2)17(18(23)21-24)22(11-13-4-9-16(19)20-10-13)28(25,26)15-7-5-14(27-3)6-8-15/h4-10,12,17,24H,11H2,1-3H3,(H,21,23)/t17-/m1/s1	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP13				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50225411 ((R)-2-(N-((6-fluoropyridin-3-yl)methyl)-4-methoxyp...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(F)nc1)[C@H](C(C)C)C(=O)NO Show InChI InChI=1S/C18H22FN3O5S/c1-12(2)17(18(23)21-24)22(11-13-4-9-16(19)20-10-13)28(25,26)15-7-5-14(27-3)6-8-15/h4-10,12,17,24H,11H2,1-3H3,(H,21,23)/t17-/m1/s1	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP8				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50258379 ((S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(cc3)C3CO3)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C23H24N2O6S/c1-30-13-17-3-2-10-25(17)32(28,29)18-8-9-20-19(11-18)22(26)23(27)24(20)12-15-4-6-16(7-5-15)21-14-31-21/h4-9,11,17,21H,2-3,10,12-14H2,1H3/t17-,21?/m0/s1	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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 7 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins				J Med Chem 52: 3484-95 (2009) Article DOI: 10.1021/jm8015014 BindingDB Entry DOI: 10.7270/Q2FN163D
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50225397 ((R)-2-(N-benzyl-4-(2-fluoroethoxy)phenylsulfonamid...) Show SMILES CC(C)[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCF)cc1)C(=O)NO Show InChI InChI=1S/C20H25FN2O5S/c1-15(2)19(20(24)22-25)23(14-16-6-4-3-5-7-16)29(26,27)18-10-8-17(9-11-18)28-13-12-21/h3-11,15,19,25H,12-14H2,1-2H3,(H,22,24)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP8				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50225409 ((R)-2-(N-((6-bromopyridin-3-yl)methyl)-4-methoxyph...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Br)nc1)[C@H](C(C)C)C(=O)NO Show InChI InChI=1S/C18H22BrN3O5S/c1-12(2)17(18(23)21-24)22(11-13-4-9-16(19)20-10-13)28(25,26)15-7-5-14(27-3)6-8-15/h4-10,12,17,24H,11H2,1-3H3,(H,21,23)/t17-/m1/s1	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	2	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP2				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP8				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50225407 ((R)-2-(4-(2-fluoroethoxy)phenylsulphonamido-N-(pyr...) Show SMILES CC(C)[C@@H](N(Cc1cccnc1)S(=O)(=O)c1ccc(OCCF)cc1)C(=O)NO Show InChI InChI=1S/C19H24FN3O5S/c1-14(2)18(19(24)22-25)23(13-15-4-3-10-21-12-15)29(26,27)17-7-5-16(6-8-17)28-11-9-20/h3-8,10,12,14,18,25H,9,11,13H2,1-2H3,(H,22,24)/t18-/m1/s1	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	2	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP8				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50258381 ((S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCC4CO4)cc3)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C24H26N2O7S/c1-31-13-17-3-2-10-26(17)34(29,30)20-8-9-22-21(11-20)23(27)24(28)25(22)12-16-4-6-18(7-5-16)32-14-19-15-33-19/h4-9,11,17,19H,2-3,10,12-15H2,1H3/t17-,19?/m0/s1	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	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 7 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins				J Med Chem 52: 3484-95 (2009) Article DOI: 10.1021/jm8015014 BindingDB Entry DOI: 10.7270/Q2FN163D
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10320 ((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C20H20N2O5S/c1-21-18-10-9-16(12-17(18)19(23)20(21)24)28(25,26)22-11-5-6-14(22)13-27-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 3 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins				J Med Chem 52: 3484-95 (2009) Article DOI: 10.1021/jm8015014 BindingDB Entry DOI: 10.7270/Q2FN163D
					More data for this Ligand-Target Pair				3D Structure (crystal)
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50225407 ((R)-2-(4-(2-fluoroethoxy)phenylsulphonamido-N-(pyr...) Show SMILES CC(C)[C@@H](N(Cc1cccnc1)S(=O)(=O)c1ccc(OCCF)cc1)C(=O)NO Show InChI InChI=1S/C19H24FN3O5S/c1-14(2)18(19(24)22-25)23(13-15-4-3-10-21-12-15)29(26,27)17-7-5-16(6-8-17)28-11-9-20/h3-8,10,12,14,18,25H,9,11,13H2,1-2H3,(H,22,24)/t18-/m1/s1	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	3	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP2				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP2				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50225401 ((R)-2-(N-benzyl-4-(2-iodoethoxy)phenylsulphonamido...) Show SMILES CC(C)[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCI)cc1)C(=O)NO Show InChI InChI=1S/C20H25IN2O5S/c1-15(2)19(20(24)22-25)23(14-16-6-4-3-5-7-16)29(26,27)18-10-8-17(9-11-18)28-13-12-21/h3-11,15,19,25H,12-14H2,1-2H3,(H,22,24)/t19-/m1/s1	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	3	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP8				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50258337 ((S)-1-(4-Fluoro-3-hydroxybutyl)-5-[1-(2-methoxymet...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC(O)CF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C18H23FN2O6S/c1-27-11-12-3-2-7-21(12)28(25,26)14-4-5-16-15(9-14)17(23)18(24)20(16)8-6-13(22)10-19/h4-5,9,12-13,22H,2-3,6-8,10-11H2,1H3/t12-,13?/m0/s1	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	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 3 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins				J Med Chem 52: 3484-95 (2009) Article DOI: 10.1021/jm8015014 BindingDB Entry DOI: 10.7270/Q2FN163D
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50225397 ((R)-2-(N-benzyl-4-(2-fluoroethoxy)phenylsulfonamid...) Show SMILES CC(C)[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCF)cc1)C(=O)NO Show InChI InChI=1S/C20H25FN2O5S/c1-15(2)19(20(24)22-25)23(14-16-6-4-3-5-7-16)29(26,27)18-10-8-17(9-11-18)28-13-12-21/h3-11,15,19,25H,12-14H2,1-2H3,(H,22,24)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP2				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50258698 ((S)-1-[4-(3-Fluoro-2-hydroxypropoxy)benzyl]-5-[1-(...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCC(O)CF)cc3)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C24H27FN2O7S/c1-33-14-17-3-2-10-27(17)35(31,32)20-8-9-22-21(11-20)23(29)24(30)26(22)13-16-4-6-19(7-5-16)34-15-18(28)12-25/h4-9,11,17-18,28H,2-3,10,12-15H2,1H3/t17-,18?/m0/s1	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 7 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins				J Med Chem 52: 3484-95 (2009) Article DOI: 10.1021/jm8015014 BindingDB Entry DOI: 10.7270/Q2FN163D
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP9				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50258379 ((S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(cc3)C3CO3)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C23H24N2O6S/c1-30-13-17-3-2-10-25(17)32(28,29)18-8-9-20-19(11-18)22(26)23(27)24(20)12-15-4-6-16(7-5-15)21-14-31-21/h4-9,11,17,21H,2-3,10,12-14H2,1H3/t17-,21?/m0/s1	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	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 3 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins				J Med Chem 52: 3484-95 (2009) Article DOI: 10.1021/jm8015014 BindingDB Entry DOI: 10.7270/Q2FN163D
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50225407 ((R)-2-(4-(2-fluoroethoxy)phenylsulphonamido-N-(pyr...) Show SMILES CC(C)[C@@H](N(Cc1cccnc1)S(=O)(=O)c1ccc(OCCF)cc1)C(=O)NO Show InChI InChI=1S/C19H24FN3O5S/c1-14(2)18(19(24)22-25)23(13-15-4-3-10-21-12-15)29(26,27)17-7-5-16(6-8-17)28-11-9-20/h3-8,10,12,14,18,25H,9,11,13H2,1-2H3,(H,22,24)/t18-/m1/s1	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	7	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP9				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50258694 ((S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(C=C)cc3)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C23H24N2O5S/c1-3-16-6-8-17(9-7-16)14-24-21-11-10-19(13-20(21)22(26)23(24)27)31(28,29)25-12-4-5-18(25)15-30-2/h3,6-11,13,18H,1,4-5,12,14-15H2,2H3/t18-/m0/s1	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	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 7 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins				J Med Chem 52: 3484-95 (2009) Article DOI: 10.1021/jm8015014 BindingDB Entry DOI: 10.7270/Q2FN163D
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50258380 ((S)-1-[4-(1-Fluoro-2-hydroxyethyl)benzyl]-5-[1-(2-...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(cc3)C(F)CO)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C23H25FN2O6S/c1-32-14-17-3-2-10-26(17)33(30,31)18-8-9-21-19(11-18)22(28)23(29)25(21)12-15-4-6-16(7-5-15)20(24)13-27/h4-9,11,17,20,27H,2-3,10,12-14H2,1H3/t17-,20?/m0/s1	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	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 7 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins				J Med Chem 52: 3484-95 (2009) Article DOI: 10.1021/jm8015014 BindingDB Entry DOI: 10.7270/Q2FN163D
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50225411 ((R)-2-(N-((6-fluoropyridin-3-yl)methyl)-4-methoxyp...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(F)nc1)[C@H](C(C)C)C(=O)NO Show InChI InChI=1S/C18H22FN3O5S/c1-12(2)17(18(23)21-24)22(11-13-4-9-16(19)20-10-13)28(25,26)15-7-5-14(27-3)6-8-15/h4-10,12,17,24H,11H2,1-3H3,(H,21,23)/t17-/m1/s1	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	8	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP2				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50258697 ((S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(C[C@H]3CO3)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C17H20N2O6S/c1-24-9-11-3-2-6-19(11)26(22,23)13-4-5-15-14(7-13)16(20)17(21)18(15)8-12-10-25-12/h4-5,7,11-12H,2-3,6,8-10H2,1H3/t11-,12-/m0/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 7 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins				J Med Chem 52: 3484-95 (2009) Article DOI: 10.1021/jm8015014 BindingDB Entry DOI: 10.7270/Q2FN163D
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50258694 ((S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(C=C)cc3)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C23H24N2O5S/c1-3-16-6-8-17(9-7-16)14-24-21-11-10-19(13-20(21)22(26)23(24)27)31(28,29)25-12-4-5-18(25)15-30-2/h3,6-11,13,18H,1,4-5,12,14-15H2,2H3/t18-/m0/s1	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	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 3 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins				J Med Chem 52: 3484-95 (2009) Article DOI: 10.1021/jm8015014 BindingDB Entry DOI: 10.7270/Q2FN163D
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50258696 ((S)-1-[4-(Allyloxy)benzyl]-5-[1-(2-methoxymethylpy...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCC=C)cc3)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C24H26N2O6S/c1-3-13-32-19-8-6-17(7-9-19)15-25-22-11-10-20(14-21(22)23(27)24(25)28)33(29,30)26-12-4-5-18(26)16-31-2/h3,6-11,14,18H,1,4-5,12-13,15-16H2,2H3/t18-/m0/s1	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
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 3 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins				J Med Chem 52: 3484-95 (2009) Article DOI: 10.1021/jm8015014 BindingDB Entry DOI: 10.7270/Q2FN163D
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50225401 ((R)-2-(N-benzyl-4-(2-iodoethoxy)phenylsulphonamido...) Show SMILES CC(C)[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCI)cc1)C(=O)NO Show InChI InChI=1S/C20H25IN2O5S/c1-15(2)19(20(24)22-25)23(14-16-6-4-3-5-7-16)29(26,27)18-10-8-17(9-11-18)28-13-12-21/h3-11,15,19,25H,12-14H2,1-2H3,(H,22,24)/t19-/m1/s1	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
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP13				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50225399 ((R)-2-(N-benzyl-4-(dimethylamino)phenylsulphonamid...) Show SMILES CC(C)[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)N(C)C)C(=O)NO Show InChI InChI=1S/C20H27N3O4S/c1-15(2)19(20(24)21-25)23(14-16-8-6-5-7-9-16)28(26,27)18-12-10-17(11-13-18)22(3)4/h5-13,15,19,25H,14H2,1-4H3,(H,21,24)/t19-/m1/s1	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
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP13				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50225412 ((R)-2-(4-nitrophenylsulfonamido-N-(pyridin-3-ylmet...) Show SMILES CC(C)[C@@H](N(Cc1cccnc1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NO Show InChI InChI=1S/C17H20N4O6S/c1-12(2)16(17(22)19-23)20(11-13-4-3-9-18-10-13)28(26,27)15-7-5-14(6-8-15)21(24)25/h3-10,12,16,23H,11H2,1-2H3,(H,19,22)/t16-/m1/s1	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
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP13				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50225397 ((R)-2-(N-benzyl-4-(2-fluoroethoxy)phenylsulfonamid...) Show SMILES CC(C)[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCF)cc1)C(=O)NO Show InChI InChI=1S/C20H25FN2O5S/c1-15(2)19(20(24)22-25)23(14-16-6-4-3-5-7-16)29(26,27)18-10-8-17(9-11-18)28-13-12-21/h3-11,15,19,25H,12-14H2,1-2H3,(H,22,24)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP13				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50258699 ((S)-1-[(S)-2,3-Dihydroxypropyl]-5-[1-(2-methoxymet...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(C[C@H](O)CO)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C17H22N2O7S/c1-26-10-11-3-2-6-19(11)27(24,25)13-4-5-15-14(7-13)16(22)17(23)18(15)8-12(21)9-20/h4-5,7,11-12,20-21H,2-3,6,8-10H2,1H3/t11-,12-/m0/s1	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 3 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins				J Med Chem 52: 3484-95 (2009) Article DOI: 10.1021/jm8015014 BindingDB Entry DOI: 10.7270/Q2FN163D
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50225396 ((R)-2-(N-benzyl-4-fluorophenylsulphonamido)-N-hydr...) Show SMILES CC(C)[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)C(=O)NO Show InChI InChI=1S/C18H21FN2O4S/c1-13(2)17(18(22)20-23)21(12-14-6-4-3-5-7-14)26(24,25)16-10-8-15(19)9-11-16/h3-11,13,17,23H,12H2,1-2H3,(H,20,22)/t17-/m1/s1	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	12	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP8				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50225412 ((R)-2-(4-nitrophenylsulfonamido-N-(pyridin-3-ylmet...) Show SMILES CC(C)[C@@H](N(Cc1cccnc1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NO Show InChI InChI=1S/C17H20N4O6S/c1-12(2)16(17(22)19-23)20(11-13-4-3-9-18-10-13)28(26,27)15-7-5-14(6-8-15)21(24)25/h3-10,12,16,23H,11H2,1-2H3,(H,19,22)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP8				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50258695 ((S)-1-[4-(2-Bromo-1-fluoroethyl)benzyl]-5-[1-(2-me...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(cc3)C(F)CBr)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C23H24BrFN2O5S/c1-32-14-17-3-2-10-27(17)33(30,31)18-8-9-21-19(11-18)22(28)23(29)26(21)13-15-4-6-16(7-5-15)20(25)12-24/h4-9,11,17,20H,2-3,10,12-14H2,1H3/t17-,20?/m0/s1	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 7 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins				J Med Chem 52: 3484-95 (2009) Article DOI: 10.1021/jm8015014 BindingDB Entry DOI: 10.7270/Q2FN163D
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10318 ((S)-5-{1-[2-(Phenoxymethyl)pyrrolidinyl]sulfonyl}i...) Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C19H18N2O5S/c22-18-16-11-15(8-9-17(16)20-19(18)23)27(24,25)21-10-4-5-13(21)12-26-14-6-2-1-3-7-14/h1-3,6-9,11,13H,4-5,10,12H2,(H,20,22,23)/t13-/m0/s1	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 3 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins				J Med Chem 52: 3484-95 (2009) Article DOI: 10.1021/jm8015014 BindingDB Entry DOI: 10.7270/Q2FN163D
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50258697 ((S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(C[C@H]3CO3)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C17H20N2O6S/c1-24-9-11-3-2-6-19(11)26(22,23)13-4-5-15-14(7-13)16(20)17(21)18(15)8-12-10-25-12/h4-5,7,11-12H,2-3,6,8-10H2,1H3/t11-,12-/m0/s1	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 3 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins				J Med Chem 52: 3484-95 (2009) Article DOI: 10.1021/jm8015014 BindingDB Entry DOI: 10.7270/Q2FN163D
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50225410 ((R)-2-(N-((2-fluoropyridin-3-yl)methyl)-4-methoxyp...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1F)[C@H](C(C)C)C(=O)NO Show InChI InChI=1S/C18H22FN3O5S/c1-12(2)16(18(23)21-24)22(11-13-5-4-10-20-17(13)19)28(25,26)15-8-6-14(27-3)7-9-15/h4-10,12,16,24H,11H2,1-3H3,(H,21,23)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP8				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50258335 ((S)-1-[(S)-3-Fluoro-2-hydroxypropyl]-5-[1-(2-metho...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(C[C@H](O)CF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C17H21FN2O6S/c1-26-10-11-3-2-6-20(11)27(24,25)13-4-5-15-14(7-13)16(22)17(23)19(15)9-12(21)8-18/h4-5,7,11-12,21H,2-3,6,8-10H2,1H3/t11-,12+/m0/s1	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 3 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins				J Med Chem 52: 3484-95 (2009) Article DOI: 10.1021/jm8015014 BindingDB Entry DOI: 10.7270/Q2FN163D
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50225410 ((R)-2-(N-((2-fluoropyridin-3-yl)methyl)-4-methoxyp...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1F)[C@H](C(C)C)C(=O)NO Show InChI InChI=1S/C18H22FN3O5S/c1-12(2)16(18(23)21-24)22(11-13-5-4-10-20-17(13)19)28(25,26)15-8-6-14(27-3)7-9-15/h4-10,12,16,24H,11H2,1-3H3,(H,21,23)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP2				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50225409 ((R)-2-(N-((6-bromopyridin-3-yl)methyl)-4-methoxyph...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Br)nc1)[C@H](C(C)C)C(=O)NO Show InChI InChI=1S/C18H22BrN3O5S/c1-12(2)17(18(23)21-24)22(11-13-4-9-16(19)20-10-13)28(25,26)15-7-5-14(27-3)6-8-15/h4-10,12,17,24H,11H2,1-3H3,(H,21,23)/t17-/m1/s1	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	20	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP8				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50225401 ((R)-2-(N-benzyl-4-(2-iodoethoxy)phenylsulphonamido...) Show SMILES CC(C)[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCI)cc1)C(=O)NO Show InChI InChI=1S/C20H25IN2O5S/c1-15(2)19(20(24)22-25)23(14-16-6-4-3-5-7-16)29(26,27)18-10-8-17(9-11-18)28-13-12-21/h3-11,15,19,25H,12-14H2,1-2H3,(H,22,24)/t19-/m1/s1	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	22	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP2				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50225409 ((R)-2-(N-((6-bromopyridin-3-yl)methyl)-4-methoxyph...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Br)nc1)[C@H](C(C)C)C(=O)NO Show InChI InChI=1S/C18H22BrN3O5S/c1-12(2)17(18(23)21-24)22(11-13-4-9-16(19)20-10-13)28(25,26)15-7-5-14(27-3)6-8-15/h4-10,12,17,24H,11H2,1-3H3,(H,21,23)/t17-/m1/s1	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	23	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP9				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50258378 ((S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCCCCCCC3CO3)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C25H36N2O6S/c1-32-17-19-10-9-15-27(19)34(30,31)21-12-13-23-22(16-21)24(28)25(29)26(23)14-8-6-4-2-3-5-7-11-20-18-33-20/h12-13,16,19-20H,2-11,14-15,17-18H2,1H3/t19-,20?/m0/s1	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	23	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 3 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins				J Med Chem 52: 3484-95 (2009) Article DOI: 10.1021/jm8015014 BindingDB Entry DOI: 10.7270/Q2FN163D
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50225409 ((R)-2-(N-((6-bromopyridin-3-yl)methyl)-4-methoxyph...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Br)nc1)[C@H](C(C)C)C(=O)NO Show InChI InChI=1S/C18H22BrN3O5S/c1-12(2)17(18(23)21-24)22(11-13-4-9-16(19)20-10-13)28(25,26)15-7-5-14(27-3)6-8-15/h4-10,12,17,24H,11H2,1-3H3,(H,21,23)/t17-/m1/s1	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	24	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP13				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50258667 ((S)-1-Allyl-5-[1-(2-methoxymethylpyrrolidinyl)sulf...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC=C)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C17H20N2O5S/c1-3-8-18-15-7-6-13(10-14(15)16(20)17(18)21)25(22,23)19-9-4-5-12(19)11-24-2/h3,6-7,10,12H,1,4-5,8-9,11H2,2H3/t12-/m0/s1	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	24	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 7 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins				J Med Chem 52: 3484-95 (2009) Article DOI: 10.1021/jm8015014 BindingDB Entry DOI: 10.7270/Q2FN163D
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50258667 ((S)-1-Allyl-5-[1-(2-methoxymethylpyrrolidinyl)sulf...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC=C)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C17H20N2O5S/c1-3-8-18-15-7-6-13(10-14(15)16(20)17(18)21)25(22,23)19-9-4-5-12(19)11-24-2/h3,6-7,10,12H,1,4-5,8-9,11H2,2H3/t12-/m0/s1	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 3 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins				J Med Chem 52: 3484-95 (2009) Article DOI: 10.1021/jm8015014 BindingDB Entry DOI: 10.7270/Q2FN163D
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50225405 ((R)-2-(N-((2-bromopyridin-3-yl)methyl)-4-methoxyph...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1Br)[C@H](C(C)C)C(=O)NO Show InChI InChI=1S/C18H22BrN3O5S/c1-12(2)16(18(23)21-24)22(11-13-5-4-10-20-17(13)19)28(25,26)15-8-6-14(27-3)7-9-15/h4-10,12,16,24H,11H2,1-3H3,(H,21,23)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP2				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50258668 ((S)-1-(But-3-enyl)-5-[1-(2-methoxymethylpyrrolidin...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCC=C)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C18H22N2O5S/c1-3-4-9-19-16-8-7-14(11-15(16)17(21)18(19)22)26(23,24)20-10-5-6-13(20)12-25-2/h3,7-8,11,13H,1,4-6,9-10,12H2,2H3/t13-/m0/s1	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	31	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 3 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins				J Med Chem 52: 3484-95 (2009) Article DOI: 10.1021/jm8015014 BindingDB Entry DOI: 10.7270/Q2FN163D
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of MMP13				J Med Chem 50: 5752-64 (2007) Article DOI: 10.1021/jm0708533 BindingDB Entry DOI: 10.7270/Q2J38TCH
					More data for this Ligand-Target Pair

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