Compile Data Set for Download or QSAR

Found 367 hits with Last Name = 'melesina' and Initial = 'j'   

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
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50200120 (CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...				Bioorg Med Chem 22: 1016-28 (2014) Article DOI: 10.1016/j.bmc.2013.12.057 BindingDB Entry DOI: 10.7270/Q2X92F7C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50495314 (CHEMBL3103559) Show SMILES OC[C@@H](OCC(=O)NO)c1ccc(cc1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C18H17NO4/c20-12-17(23-13-18(21)19-22)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11,17,20,22H,12-13H2,(H,19,21)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...				Bioorg Med Chem 22: 1016-28 (2014) Article DOI: 10.1016/j.bmc.2013.12.057 BindingDB Entry DOI: 10.7270/Q2X92F7C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50495317 (CHEMBL3103561) Show SMILES OC[C@@H](OCC(=O)NO)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C23H26N2O5/c26-16-22(30-17-23(27)24-28)21-9-7-19(8-10-21)2-1-18-3-5-20(6-4-18)15-25-11-13-29-14-12-25/h3-10,22,26,28H,11-17H2,(H,24,27)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...				Bioorg Med Chem 22: 1016-28 (2014) Article DOI: 10.1016/j.bmc.2013.12.057 BindingDB Entry DOI: 10.7270/Q2X92F7C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50495323 (CHEMBL3103548) Show SMILES OC[C@H](O[C@H](CO)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C24H28N2O6/c27-16-22(32-23(17-28)24(29)25-30)21-9-7-19(8-10-21)2-1-18-3-5-20(6-4-18)15-26-11-13-31-14-12-26/h3-10,22-23,27-28,30H,11-17H2,(H,25,29)/t22-,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	358	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...				Bioorg Med Chem 22: 1016-28 (2014) Article DOI: 10.1016/j.bmc.2013.12.057 BindingDB Entry DOI: 10.7270/Q2X92F7C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50495312 (CHEMBL3103550) Show SMILES ONC(=O)COCc1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C22H24N2O4/c25-22(23-26)17-28-16-21-9-5-19(6-10-21)2-1-18-3-7-20(8-4-18)15-24-11-13-27-14-12-24/h3-10,26H,11-17H2,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...				Bioorg Med Chem 22: 1016-28 (2014) Article DOI: 10.1016/j.bmc.2013.12.057 BindingDB Entry DOI: 10.7270/Q2X92F7C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50495316 (CHEMBL3103560) Show SMILES OC[C@H](OCC(=O)NO)c1ccc(cc1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C18H17NO4/c20-12-17(23-13-18(21)19-22)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11,17,20,22H,12-13H2,(H,19,21)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...				Bioorg Med Chem 22: 1016-28 (2014) Article DOI: 10.1016/j.bmc.2013.12.057 BindingDB Entry DOI: 10.7270/Q2X92F7C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50495311 (CHEMBL3103562) Show SMILES OC[C@H](OCC(=O)NO)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C23H26N2O5/c26-16-22(30-17-23(27)24-28)21-9-7-19(8-10-21)2-1-18-3-5-20(6-4-18)15-25-11-13-29-14-12-25/h3-10,22,26,28H,11-17H2,(H,24,27)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.73E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...				Bioorg Med Chem 22: 1016-28 (2014) Article DOI: 10.1016/j.bmc.2013.12.057 BindingDB Entry DOI: 10.7270/Q2X92F7C
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50523959 (CHEMBL4584968) Show SMILES ONC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(cc1)C#Cc1ccc(OCCCCCF)cc1 |r| Show InChI InChI=1S/C25H27FN2O5/c26-14-2-1-3-15-33-22-12-8-19(9-13-22)5-4-18-6-10-20(11-7-18)25(31)28-17-21(29)16-23(28)24(30)27-32/h6-13,21,23,29,32H,1-3,14-17H2,(H,27,30)/t21-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrat...				Bioorg Med Chem 27: 1997-2018 (2019) Article DOI: 10.1016/j.bmc.2019.03.056 BindingDB Entry DOI: 10.7270/Q2VH5S8J
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50523962 (CHEMBL4527411) Show SMILES CCCCCc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1C[C@@H](O)C[C@H]1C(=O)NO |r| Show InChI InChI=1S/C25H28N2O4/c1-2-3-4-5-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)25(30)27-17-22(28)16-23(27)24(29)26-31/h6-9,12-15,22-23,28,31H,2-5,16-17H2,1H3,(H,26,29)/t22-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrat...				Bioorg Med Chem 27: 1997-2018 (2019) Article DOI: 10.1016/j.bmc.2019.03.056 BindingDB Entry DOI: 10.7270/Q2VH5S8J
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50523962 (CHEMBL4527411) Show SMILES CCCCCc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1C[C@@H](O)C[C@H]1C(=O)NO |r| Show InChI InChI=1S/C25H28N2O4/c1-2-3-4-5-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)25(30)27-17-22(28)16-23(27)24(29)26-31/h6-9,12-15,22-23,28,31H,2-5,16-17H2,1H3,(H,26,29)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human MMP2 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate...				Bioorg Med Chem 27: 1997-2018 (2019) Article DOI: 10.1016/j.bmc.2019.03.056 BindingDB Entry DOI: 10.7270/Q2VH5S8J
					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	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human MMP2 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate...				Bioorg Med Chem 27: 1997-2018 (2019) Article DOI: 10.1016/j.bmc.2019.03.056 BindingDB Entry DOI: 10.7270/Q2VH5S8J
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50523959 (CHEMBL4584968) Show SMILES ONC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(cc1)C#Cc1ccc(OCCCCCF)cc1 |r| Show InChI InChI=1S/C25H27FN2O5/c26-14-2-1-3-15-33-22-12-8-19(9-13-22)5-4-18-6-10-20(11-7-18)25(31)28-17-21(29)16-23(28)24(30)27-32/h6-13,21,23,29,32H,1-3,14-17H2,(H,27,30)/t21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human MMP2 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate...				Bioorg Med Chem 27: 1997-2018 (2019) Article DOI: 10.1016/j.bmc.2019.03.056 BindingDB Entry DOI: 10.7270/Q2VH5S8J
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50397360 (CHEMBL2170177 | US10188756, Compound CN110) Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1 Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC8 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate preincubated for 15 mins fol...				J Med Chem 59: 2423-35 (2016) Article DOI: 10.1021/acs.jmedchem.5b01478 BindingDB Entry DOI: 10.7270/Q28054HC
					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	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human MMP9 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate...				Bioorg Med Chem 27: 1997-2018 (2019) Article DOI: 10.1016/j.bmc.2019.03.056 BindingDB Entry DOI: 10.7270/Q2VH5S8J
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50523951 (CHEMBL4437091) Show SMILES CCCCCc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)NO |r| Show InChI InChI=1S/C25H28N2O4/c1-2-3-4-5-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)25(30)27-17-22(28)16-23(27)24(29)26-31/h6-9,12-15,22-23,28,31H,2-5,16-17H2,1H3,(H,26,29)/t22-,23+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrat...				Bioorg Med Chem 27: 1997-2018 (2019) Article DOI: 10.1016/j.bmc.2019.03.056 BindingDB Entry DOI: 10.7270/Q2VH5S8J
					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	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human MMP8 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate...				Bioorg Med Chem 27: 1997-2018 (2019) Article DOI: 10.1016/j.bmc.2019.03.056 BindingDB Entry DOI: 10.7270/Q2VH5S8J
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50523962 (CHEMBL4527411) Show SMILES CCCCCc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1C[C@@H](O)C[C@H]1C(=O)NO |r| Show InChI InChI=1S/C25H28N2O4/c1-2-3-4-5-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)25(30)27-17-22(28)16-23(27)24(29)26-31/h6-9,12-15,22-23,28,31H,2-5,16-17H2,1H3,(H,26,29)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human MMP8 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate...				Bioorg Med Chem 27: 1997-2018 (2019) Article DOI: 10.1016/j.bmc.2019.03.056 BindingDB Entry DOI: 10.7270/Q2VH5S8J
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380399 (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...) Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using RHKKAc peptide as substrate				J Med Chem 59: 1545-55 (2016) Article DOI: 10.1021/acs.jmedchem.5b01493 BindingDB Entry DOI: 10.7270/Q2X350BD
					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	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrat...				Bioorg Med Chem 27: 1997-2018 (2019) Article DOI: 10.1016/j.bmc.2019.03.056 BindingDB Entry DOI: 10.7270/Q2VH5S8J
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50164533 (CHEMBL3800182) Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(C)cc1)C(=O)NO Show InChI InChI=1S/C15H16N2O5S/c1-10-3-6-12(7-4-10)17-23(20,21)14-9-11(15(18)16-19)5-8-13(14)22-2/h3-9,17,19H,1-2H3,(H,16,18)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...				J Med Chem 59: 2423-35 (2016) Article DOI: 10.1021/acs.jmedchem.5b01478 BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50523959 (CHEMBL4584968) Show SMILES ONC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(cc1)C#Cc1ccc(OCCCCCF)cc1 |r| Show InChI InChI=1S/C25H27FN2O5/c26-14-2-1-3-15-33-22-12-8-19(9-13-22)5-4-18-6-10-20(11-7-18)25(31)28-17-21(29)16-23(28)24(30)27-32/h6-13,21,23,29,32H,1-3,14-17H2,(H,27,30)/t21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human MMP8 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate...				Bioorg Med Chem 27: 1997-2018 (2019) Article DOI: 10.1016/j.bmc.2019.03.056 BindingDB Entry DOI: 10.7270/Q2VH5S8J
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50164532 (CHEMBL3797516) Show SMILES COc1ccc(cc1OCc1ccccc1)C(=O)NO Show InChI InChI=1S/C15H15NO4/c1-19-13-8-7-12(15(17)16-18)9-14(13)20-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...				J Med Chem 59: 2423-35 (2016) Article DOI: 10.1021/acs.jmedchem.5b01478 BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50164518 (CHEMBL3800394) Show SMILES COc1ccc(cc1NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO Show InChI InChI=1S/C21H18N2O4/c1-27-19-12-11-17(21(25)23-26)13-18(19)22-20(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13,26H,1H3,(H,22,24)(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...				J Med Chem 59: 2423-35 (2016) Article DOI: 10.1021/acs.jmedchem.5b01478 BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50246866 (CHEMBL4078458 | US11505523, Compound 22d) Show SMILES COc1ccc(\C=C\C(=O)NO)c(c1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H19NO3/c1-26-20-13-11-19(12-14-22(24)23-25)21(15-20)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15,25H,1H3,(H,23,24)/b14-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human HDAC8 (1 to 377 residues) expressed in Escherichia coli BL21(DE3) using Boc-Lys(TFA)-AMC as substrate preincubated for 5 mins fol...				J Med Chem 60: 10188-10204 (2017) Article DOI: 10.1021/acs.jmedchem.7b01447 BindingDB Entry DOI: 10.7270/Q2DZ0BQJ
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50164532 (CHEMBL3797516) Show SMILES COc1ccc(cc1OCc1ccccc1)C(=O)NO Show InChI InChI=1S/C15H15NO4/c1-19-13-8-7-12(15(17)16-18)9-14(13)20-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in Escherichia coli BL21(DE3) using fluor de Lys(R) as substrate af...				J Med Chem 60: 10188-10204 (2017) Article DOI: 10.1021/acs.jmedchem.7b01447 BindingDB Entry DOI: 10.7270/Q2DZ0BQJ
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50164516 (CHEMBL3800057) Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1ccccc1)C(=O)NO Show InChI InChI=1S/C17H18N2O4/c1-11(2)23-15-9-8-13(17(21)19-22)10-14(15)18-16(20)12-6-4-3-5-7-12/h3-11,22H,1-2H3,(H,18,20)(H,19,21)	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...				J Med Chem 59: 2423-35 (2016) Article DOI: 10.1021/acs.jmedchem.5b01478 BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50164517 (CHEMBL3798183) Show SMILES Cc1ccc(cc1NC(=O)c1ccc2ccccc2n1)C(=O)NO Show InChI InChI=1S/C18H15N3O3/c1-11-6-7-13(17(22)21-24)10-16(11)20-18(23)15-9-8-12-4-2-3-5-14(12)19-15/h2-10,24H,1H3,(H,20,23)(H,21,22)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...				J Med Chem 59: 2423-35 (2016) Article DOI: 10.1021/acs.jmedchem.5b01478 BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50523956 (CHEMBL4536692) Show SMILES ONC(=O)[C@@H]1[C@H](O)[C@H](O)CN1C(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C25H27N3O6/c29-21-16-28(22(23(21)30)24(31)26-33)25(32)20-9-7-18(8-10-20)2-1-17-3-5-19(6-4-17)15-27-11-13-34-14-12-27/h3-10,21-23,29-30,33H,11-16H2,(H,26,31)/t21-,22+,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human MMP2 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate...				Bioorg Med Chem 27: 1997-2018 (2019) Article DOI: 10.1016/j.bmc.2019.03.056 BindingDB Entry DOI: 10.7270/Q2VH5S8J
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50246847 (CHEMBL4089635) Show SMILES Cc1ccc(cc1NCc1ccc(Cl)cc1Cl)C(=O)NO Show InChI InChI=1S/C15H14Cl2N2O2/c1-9-2-3-10(15(20)19-21)6-14(9)18-8-11-4-5-12(16)7-13(11)17/h2-7,18,21H,8H2,1H3,(H,19,20)	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	35	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in Escherichia coli BL21(DE3) using fluor de Lys(R) as substrate af...				J Med Chem 60: 10188-10204 (2017) Article DOI: 10.1021/acs.jmedchem.7b01447 BindingDB Entry DOI: 10.7270/Q2DZ0BQJ
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50246874 (CHEMBL4095643) Show SMILES COc1ccc(cc1C(=O)Nc1ccc(Cl)cc1)C(=O)NO Show InChI InChI=1S/C15H13ClN2O4/c1-22-13-7-2-9(14(19)18-21)8-12(13)15(20)17-11-5-3-10(16)4-6-11/h2-8,21H,1H3,(H,17,20)(H,18,19)	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	38	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in Escherichia coli BL21(DE3) using fluor de Lys(R) as substrate af...				J Med Chem 60: 10188-10204 (2017) Article DOI: 10.1021/acs.jmedchem.7b01447 BindingDB Entry DOI: 10.7270/Q2DZ0BQJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50523956 (CHEMBL4536692) Show SMILES ONC(=O)[C@@H]1[C@H](O)[C@H](O)CN1C(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C25H27N3O6/c29-21-16-28(22(23(21)30)24(31)26-33)25(32)20-9-7-18(8-10-20)2-1-17-3-5-19(6-4-17)15-27-11-13-34-14-12-27/h3-10,21-23,29-30,33H,11-16H2,(H,26,31)/t21-,22+,23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrat...				Bioorg Med Chem 27: 1997-2018 (2019) Article DOI: 10.1016/j.bmc.2019.03.056 BindingDB Entry DOI: 10.7270/Q2VH5S8J
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using Cbz-(Ac)Lys-AMC as substrate preincubated for 90 mins followed by trypsin addition measured after 20 mins...				J Med Chem 59: 2423-35 (2016) Article DOI: 10.1021/acs.jmedchem.5b01478 BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50399672 (CHEMBL2178342) Show SMILES ONC(=O)c1cccc(c1)-c1cn(CSc2ccccc2)nn1 Show InChI InChI=1S/C16H14N4O2S/c21-16(18-22)13-6-4-5-12(9-13)15-10-20(19-17-15)11-23-14-7-2-1-3-8-14/h1-10,22H,11H2,(H,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Inhibition of human His-thioredoxin-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells using Fluor de Lys (R)-HDAC8 as substrate by fluorome...				J Med Chem 61: 10000-10016 (2018) Article DOI: 10.1021/acs.jmedchem.8b01087 BindingDB Entry DOI: 10.7270/Q2VM4FT7
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50523963 (CHEMBL4452902) Show SMILES ONC(=O)[C@H]1CCCN1C(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C25H27N3O4/c29-24(26-31)23-2-1-13-28(23)25(30)22-11-9-20(10-12-22)4-3-19-5-7-21(8-6-19)18-27-14-16-32-17-15-27/h5-12,23,31H,1-2,13-18H2,(H,26,29)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human MMP8 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate...				Bioorg Med Chem 27: 1997-2018 (2019) Article DOI: 10.1016/j.bmc.2019.03.056 BindingDB Entry DOI: 10.7270/Q2VH5S8J
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis				J Med Chem 59: 1545-55 (2016) Article DOI: 10.1021/acs.jmedchem.5b01493 BindingDB Entry DOI: 10.7270/Q2X350BD
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50450625 (CHEMBL4160522) Show SMILES ONC(=O)c1ccc(Cl)c(NC(=O)c2cccc3ccsc23)c1 Show InChI InChI=1S/C16H11ClN2O3S/c17-12-5-4-10(15(20)19-22)8-13(12)18-16(21)11-3-1-2-9-6-7-23-14(9)11/h1-8,22H,(H,18,21)(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus infected Sf9 insect cells using Z(Ac)Lys-AMC as substrate by flu...				J Med Chem 61: 10000-10016 (2018) Article DOI: 10.1021/acs.jmedchem.8b01087 BindingDB Entry DOI: 10.7270/Q2VM4FT7
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50523961 (CHEMBL4441587) Show SMILES ONC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C25H27N3O5/c29-22-15-23(24(30)26-32)28(17-22)25(31)21-9-7-19(8-10-21)2-1-18-3-5-20(6-4-18)16-27-11-13-33-14-12-27/h3-10,22-23,29,32H,11-17H2,(H,26,30)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human MMP2 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate...				Bioorg Med Chem 27: 1997-2018 (2019) Article DOI: 10.1016/j.bmc.2019.03.056 BindingDB Entry DOI: 10.7270/Q2VH5S8J
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50523961 (CHEMBL4441587) Show SMILES ONC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C25H27N3O5/c29-22-15-23(24(30)26-32)28(17-22)25(31)21-9-7-19(8-10-21)2-1-18-3-5-20(6-4-18)16-27-11-13-33-14-12-27/h3-10,22-23,29,32H,11-17H2,(H,26,30)/t22-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrat...				Bioorg Med Chem 27: 1997-2018 (2019) Article DOI: 10.1016/j.bmc.2019.03.056 BindingDB Entry DOI: 10.7270/Q2VH5S8J
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50200120 (CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme add...				Bioorg Med Chem 22: 1016-28 (2014) Article DOI: 10.1016/j.bmc.2013.12.057 BindingDB Entry DOI: 10.7270/Q2X92F7C
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50148612 (CHEMBL3770095) Show SMILES ONC(=O)c1coc(n1)-c1ccc(Br)cc1 Show InChI InChI=1S/C10H7BrN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis				J Med Chem 59: 1545-55 (2016) Article DOI: 10.1021/acs.jmedchem.5b01493 BindingDB Entry DOI: 10.7270/Q2X350BD
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50105327 (JNJ-26481585 | Quisinostat) Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Inhibition of human His-thioredoxin-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells using Fluor de Lys (R)-HDAC8 as substrate by fluorome...				J Med Chem 61: 10000-10016 (2018) Article DOI: 10.1021/acs.jmedchem.8b01087 BindingDB Entry DOI: 10.7270/Q2VM4FT7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 8 (Schistosoma mansoni)	BDBM50164641 (CHEMBL3797843) Show SMILES ONC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C14H11ClN2O3/c15-11-7-6-10(14(19)17-20)8-12(11)16-13(18)9-4-2-1-3-5-9/h1-8,20H,(H,16,18)(H,17,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...				J Med Chem 59: 2423-35 (2016) Article DOI: 10.1021/acs.jmedchem.5b01478 BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50246846 (CHEMBL4105068) Show SMILES COc1ccc(cc1NCc1ccccc1)C(=O)NO Show InChI InChI=1S/C15H16N2O3/c1-20-14-8-7-12(15(18)17-19)9-13(14)16-10-11-5-3-2-4-6-11/h2-9,16,19H,10H2,1H3,(H,17,18)	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	69	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in Escherichia coli BL21(DE3) using fluor de Lys(R) as substrate af...				J Med Chem 60: 10188-10204 (2017) Article DOI: 10.1021/acs.jmedchem.7b01447 BindingDB Entry DOI: 10.7270/Q2DZ0BQJ
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50164658 (CHEMBL3798268) Show SMILES CN(C)c1cccc(c1)C(=O)NO Show InChI InChI=1S/C9H12N2O2/c1-11(2)8-5-3-4-7(6-8)9(12)10-13/h3-6,13H,1-2H3,(H,10,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...				J Med Chem 59: 2423-35 (2016) Article DOI: 10.1021/acs.jmedchem.5b01478 BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50246848 (CHEMBL4061831) Show SMILES ONC(=O)c1ccc(F)c(NCc2ccccc2)c1 Show InChI InChI=1S/C14H13FN2O2/c15-12-7-6-11(14(18)17-19)8-13(12)16-9-10-4-2-1-3-5-10/h1-8,16,19H,9H2,(H,17,18)	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	72	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in Escherichia coli BL21(DE3) using fluor de Lys(R) as substrate af...				J Med Chem 60: 10188-10204 (2017) Article DOI: 10.1021/acs.jmedchem.7b01447 BindingDB Entry DOI: 10.7270/Q2DZ0BQJ
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Schistosoma mansoni)	BDBM50164518 (CHEMBL3800394) Show SMILES COc1ccc(cc1NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO Show InChI InChI=1S/C21H18N2O4/c1-27-19-12-11-17(21(25)23-26)13-18(19)22-20(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13,26H,1H3,(H,22,24)(H,23,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...				J Med Chem 59: 2423-35 (2016) Article DOI: 10.1021/acs.jmedchem.5b01478 BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50164519 (CHEMBL3799297) Show SMILES COc1ccc(cc1)C(=O)Nc1cc(ccc1OC)C(=O)NO Show InChI InChI=1S/C16H16N2O5/c1-22-12-6-3-10(4-7-12)15(19)17-13-9-11(16(20)18-21)5-8-14(13)23-2/h3-9,21H,1-2H3,(H,17,19)(H,18,20)	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	77	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...				J Med Chem 59: 2423-35 (2016) Article DOI: 10.1021/acs.jmedchem.5b01478 BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50397360 (CHEMBL2170177 | US10188756, Compound CN110) Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1 Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Inhibition of human His-thioredoxin-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells using Fluor de Lys (R)-HDAC8 as substrate by fluorome...				J Med Chem 61: 10000-10016 (2018) Article DOI: 10.1021/acs.jmedchem.8b01087 BindingDB Entry DOI: 10.7270/Q2VM4FT7
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50397360 (CHEMBL2170177 | US10188756, Compound CN110) Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1 Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...				J Med Chem 59: 2423-35 (2016) Article DOI: 10.1021/acs.jmedchem.5b01478 BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50148617 (CHEMBL3771189) Show SMILES ONC(=O)c1coc(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C10H7ClN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)	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	81	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis				J Med Chem 59: 1545-55 (2016) Article DOI: 10.1021/acs.jmedchem.5b01493 BindingDB Entry DOI: 10.7270/Q2X350BD
					More data for this Ligand-Target Pair

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