Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'koehn' 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
Elastase (Pseudomonas aeruginosa)	BDBM50542712 (CHEMBL4647152) Show SMILES NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS |r| Show InChI InChI=1S/C22H24N4O4S/c23-21(29)18(9-13-5-7-15(27)8-6-13)26-22(30)19(25-20(28)12-31)10-14-11-24-17-4-2-1-3-16(14)17/h1-8,11,18-19,24,27,31H,9-10,12H2,(H2,23,29)(H,25,28)(H,26,30)/t18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LasB using aminobenzoyl-Ala-Gly-Leu-Ala-p-nitro-benzyl-amide as fluorogenic substrate by fluorimetric assay				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255003 (CHEMBL519613 | N-((R)-3-((S)-2-(1H-benzo[d]imidazo...) Show SMILES ON(C[C@@H](CC1CC1)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)C=O |r| Show InChI InChI=1S/C19H24N4O3/c24-12-22(26)11-14(10-13-7-8-13)19(25)23-9-3-6-17(23)18-20-15-4-1-2-5-16(15)21-18/h1-2,4-5,12-14,17,26H,3,6-11H2,(H,20,21)/t14-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255000 (CHEMBL443904 | N-((R)-2-((S)-2-(1H-benzo[d]imidazo...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C19H26N4O3/c1-2-3-7-14(12-22(26)13-24)19(25)23-11-6-10-17(23)18-20-15-8-4-5-9-16(15)21-18/h4-5,8-9,13-14,17,26H,2-3,6-7,10-12H2,1H3,(H,20,21)/t14-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255030 (CHEMBL506649 | N-((R)-2-((S)-2-(benzo[d]oxazol-2-y...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 |r| Show InChI InChI=1S/C19H25N3O4/c1-2-3-7-14(12-21(25)13-23)19(24)22-11-6-9-16(22)18-20-15-8-4-5-10-17(15)26-18/h4-5,8,10,13-14,16,25H,2-3,6-7,9,11-12H2,1H3/t14-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255032 (CHEMBL465740 | N-((R)-2-((S)-2-(benzo[d]oxazol-2-y...) Show SMILES CCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 |r| Show InChI InChI=1S/C20H27N3O4/c1-2-3-4-8-15(13-22(26)14-24)20(25)23-12-7-10-17(23)19-21-16-9-5-6-11-18(16)27-19/h5-6,9,11,14-15,17,26H,2-4,7-8,10,12-13H2,1H3/t15-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255002 (CHEMBL482180 | N-((R)-2-((S)-2-(1H-benzo[d]imidazo...) Show SMILES CCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C20H28N4O3/c1-2-3-4-8-15(13-23(27)14-25)20(26)24-12-7-11-18(24)19-21-16-9-5-6-10-17(16)22-19/h5-6,9-10,14-15,18,27H,2-4,7-8,11-13H2,1H3,(H,21,22)/t15-,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Collagenase ColH (Hathewaya histolytica)	BDBM50542711 (CHEMBL4640494) Show SMILES CC(=O)c1ccc(NC(=O)CS)cc1 Show InChI InChI=1S/C10H11NO2S/c1-7(12)8-2-4-9(5-3-8)11-10(13)6-14/h2-5,14H,6H2,1H3,(H,11,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Clostridium histolyticum ColH peptidase domain expressed in Escherichia coli BL21(DE3) cells using Mca-Ala-Gly-Pro-Pro-Gly-Pro-Dpa-Gly-...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255065 ((S)-2-((S)-2-(1H-benzo[d]imidazol-2-yl)pyrrolidine...) Show SMILES CCCC[C@H](C(=O)NO)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C18H24N4O3/c1-2-3-7-12(17(23)21-25)18(24)22-11-6-10-15(22)16-19-13-8-4-5-9-14(13)20-16/h4-5,8-9,12,15,25H,2-3,6-7,10-11H2,1H3,(H,19,20)(H,21,23)/t12-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255033 (CHEMBL463859 | N-((R)-3-((S)-2-(benzo[d]oxazol-2-y...) Show SMILES ON(C[C@@H](CC1CC1)C(=O)N1CCC[C@H]1c1nc2ccccc2o1)C=O |r| Show InChI InChI=1S/C19H23N3O4/c23-12-21(25)11-14(10-13-7-8-13)19(24)22-9-3-5-16(22)18-20-15-4-1-2-6-17(15)26-18/h1-2,4,6,12-14,16,25H,3,5,7-11H2/t14-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255001 (CHEMBL482179 | N-((R)-2-((S)-2-(1H-benzo[d]imidazo...) Show SMILES CCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C18H24N4O3/c1-2-6-13(11-21(25)12-23)18(24)22-10-5-9-16(22)17-19-14-7-3-4-8-15(14)20-17/h3-4,7-8,12-13,16,25H,2,5-6,9-11H2,1H3,(H,19,20)/t13-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255031 (CHEMBL480220 | N-((R)-2-((S)-2-(benzo[d]oxazol-2-y...) Show SMILES CCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 |r| Show InChI InChI=1S/C18H23N3O4/c1-2-6-13(11-20(24)12-22)18(23)21-10-5-8-15(21)17-19-14-7-3-4-9-16(14)25-17/h3-4,7,9,12-13,15,24H,2,5-6,8,10-11H2,1H3/t13-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255066 ((S)-2-((S)-2-(benzo[d]oxazol-2-yl)pyrrolidine-1-ca...) Show SMILES CCCC[C@H](C(=O)NO)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 |r| Show InChI InChI=1S/C18H23N3O4/c1-2-3-7-12(16(22)20-24)18(23)21-11-6-9-14(21)17-19-13-8-4-5-10-15(13)25-17/h4-5,8,10,12,14,24H,2-3,6-7,9,11H2,1H3,(H,20,22)/t12-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Collagenase ColH (Hathewaya histolytica)	BDBM50542698 (CHEMBL4636059) Show SMILES CC(=O)c1ccc(cc1)N1C(=O)CC(S)C1=O Show InChI InChI=1S/C12H11NO3S/c1-7(14)8-2-4-9(5-3-8)13-11(15)6-10(17)12(13)16/h2-5,10,17H,6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Clostridium histolyticum ColH peptidase domain expressed in Escherichia coli BL21(DE3) cells using Mca-Ala-Gly-Pro-Pro-Gly-Pro-Dpa-Gly-...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255004 (CHEMBL481391 | N-((R)-3-((S)-2-(1H-benzo[d]imidazo...) Show SMILES ON(C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)C=O |r| Show InChI InChI=1S/C22H24N4O3/c27-15-25(29)14-17(13-16-7-2-1-3-8-16)22(28)26-12-6-11-20(26)21-23-18-9-4-5-10-19(18)24-21/h1-5,7-10,15,17,20,29H,6,11-14H2,(H,23,24)/t17-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255034 (CHEMBL518077 | N-((R)-3-((S)-2-(benzo[d]oxazol-2-y...) Show SMILES ON(C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1c1nc2ccccc2o1)C=O |r| Show InChI InChI=1S/C22H23N3O4/c26-15-24(28)14-17(13-16-7-2-1-3-8-16)22(27)25-12-6-10-19(25)21-23-18-9-4-5-11-20(18)29-21/h1-5,7-9,11,15,17,19,28H,6,10,12-14H2/t17-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255063 ((R)-3-((S)-2-(1H-benzo[d]imidazol-2-yl)pyrrolidine...) Show SMILES CCCC[C@H](CC(O)=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C19H25N3O3/c1-2-3-7-13(12-17(23)24)19(25)22-11-6-10-16(22)18-20-14-8-4-5-9-15(14)21-18/h4-5,8-9,13,16H,2-3,6-7,10-12H2,1H3,(H,20,21)(H,23,24)/t13-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	202	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair
Collagenase ColH (Hathewaya histolytica)	BDBM50542693 (CHEMBL4637937) Show SMILES COc1ccc(cc1)N1C(=O)CC(S)C1=O Show InChI InChI=1S/C11H11NO3S/c1-15-8-4-2-7(3-5-8)12-10(13)6-9(16)11(12)14/h2-5,9,16H,6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Clostridium histolyticum ColH peptidase domain expressed in Escherichia coli BL21(DE3) cells using Mca-Ala-Gly-Pro-Pro-Gly-Pro-Dpa-Gly-...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255064 ((R)-3-((S)-2-(benzo[d]oxazol-2-yl)pyrrolidine-1-ca...) Show SMILES CCCC[C@H](CC(O)=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 |r| Show InChI InChI=1S/C19H24N2O4/c1-2-3-7-13(12-17(22)23)19(24)21-11-6-9-15(21)18-20-14-8-4-5-10-16(14)25-18/h4-5,8,10,13,15H,2-3,6-7,9,11-12H2,1H3,(H,22,23)/t13-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	803	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50542698 (CHEMBL4636059) Show SMILES CC(=O)c1ccc(cc1)N1C(=O)CC(S)C1=O Show InChI InChI=1S/C12H11NO3S/c1-7(14)8-2-4-9(5-3-8)13-11(15)6-10(17)12(13)16/h2-5,10,17H,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of recombinant human TACE1 expressed in insect cells using FRET-tagged substrate by FRET assay				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542686 (CHEMBL4648952) Show SMILES SC1CC(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C10H7Cl2NO2S/c11-6-2-1-5(3-7(6)12)13-9(14)4-8(16)10(13)15/h1-3,8,16H,4H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542688 (CHEMBL4633389) Show SMILES Fc1ccc(cc1F)N1C(=O)CC(S)C1=O Show InChI InChI=1S/C10H7F2NO2S/c11-6-2-1-5(3-7(6)12)13-9(14)4-8(16)10(13)15/h1-3,8,16H,4H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50542686 (CHEMBL4648952) Show SMILES SC1CC(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C10H7Cl2NO2S/c11-6-2-1-5(3-7(6)12)13-9(14)4-8(16)10(13)15/h1-3,8,16H,4H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of recombinant human TACE1 expressed in insect cells using FRET-tagged substrate by FRET assay				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542708 (CHEMBL4639391) Show SMILES SCC1CC(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C11H9Cl2NO2S/c12-8-2-1-7(4-9(8)13)14-10(15)3-6(5-17)11(14)16/h1-2,4,6,17H,3,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542679 (CHEMBL4639584) Show SMILES SCC(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C8H7Cl2NOS/c9-6-2-1-5(3-7(6)10)11-8(12)4-13/h1-3,13H,4H2,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Elastase (Pseudomonas aeruginosa)	BDBM50542684 (CHEMBL4645590) Show SMILES SC1CC(=O)N(C1=O)c1cccc(Cl)c1 Show InChI InChI=1S/C10H8ClNO2S/c11-6-2-1-3-7(4-6)12-9(13)5-8(15)10(12)14/h1-4,8,15H,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542683 (CHEMBL4638130) Show SMILES SC1CC(=O)N(C1=O)c1ccccc1Cl Show InChI InChI=1S/C10H8ClNO2S/c11-6-3-1-2-4-7(6)12-9(13)5-8(15)10(12)14/h1-4,8,15H,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542709 (CHEMBL4635838) Show SMILES Fc1ccc(cc1F)N1C(=O)CC(CS)C1=O Show InChI InChI=1S/C11H9F2NO2S/c12-8-2-1-7(4-9(8)13)14-10(15)3-6(5-17)11(14)16/h1-2,4,6,17H,3,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542689 (CHEMBL4638991) Show SMILES Cc1ccc(Cl)cc1N1C(=O)CC(S)C1=O Show InChI InChI=1S/C11H10ClNO2S/c1-6-2-3-7(12)4-8(6)13-10(14)5-9(16)11(13)15/h2-4,9,16H,5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542687 (CHEMBL4646205) Show SMILES SC1CC(=O)N(C1=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C10H7Cl2NO2S/c11-5-2-1-3-6(12)9(5)13-8(14)4-7(16)10(13)15/h1-3,7,16H,4H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542685 (CHEMBL4637591) Show SMILES SC1CC(=O)N(C1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H8ClNO2S/c11-6-1-3-7(4-2-6)12-9(13)5-8(15)10(12)14/h1-4,8,15H,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542697 (CHEMBL4634214) Show SMILES [O-][N+](=O)c1cccc(c1)N1C(=O)CC(S)C1=O Show InChI InChI=1S/C10H8N2O4S/c13-9-5-8(17)10(14)11(9)6-2-1-3-7(4-6)12(15)16/h1-4,8,17H,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542699 (CHEMBL4649524) Show SMILES SC1CC(=O)N(C1=O)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C16H13NO2S/c18-15-10-14(20)16(19)17(15)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9,14,20H,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542691 (CHEMBL4642932) Show SMILES COc1ccccc1N1C(=O)CC(S)C1=O Show InChI InChI=1S/C11H11NO3S/c1-15-8-5-3-2-4-7(8)12-10(13)6-9(16)11(12)14/h2-5,9,16H,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542682 (CHEMBL4643055) Show SMILES Cc1ccc(cc1C)N1C(=O)CC(S)C1=O Show InChI InChI=1S/C12H13NO2S/c1-7-3-4-9(5-8(7)2)13-11(14)6-10(16)12(13)15/h3-5,10,16H,6H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542690 (CHEMBL4644474) Show SMILES Cc1ccc(Cl)c(C)c1N1C(=O)CC(S)C1=O Show InChI InChI=1S/C12H12ClNO2S/c1-6-3-4-8(13)7(2)11(6)14-10(15)5-9(17)12(14)16/h3-4,9,17H,5H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542692 (CHEMBL4632814) Show SMILES COc1cccc(c1)N1C(=O)CC(S)C1=O Show InChI InChI=1S/C11H11NO3S/c1-15-8-4-2-3-7(5-8)12-10(13)6-9(16)11(12)14/h2-5,9,16H,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542680 (CHEMBL4634578) Show SMILES SC1CC(=O)N(C1=O)c1ccccc1 Show InChI InChI=1S/C10H9NO2S/c12-9-6-8(14)10(13)11(9)7-4-2-1-3-5-7/h1-5,8,14H,6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542700 (CHEMBL4649645) Show SMILES SC1CC(=O)N(C1=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H13NO2S/c18-15-10-14(20)16(19)17(15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,20H,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542694 (CHEMBL4633677) Show SMILES COc1ccc(N2C(=O)CC(S)C2=O)c(OC)c1 Show InChI InChI=1S/C12H13NO4S/c1-16-7-3-4-8(9(5-7)17-2)13-11(14)6-10(18)12(13)15/h3-5,10,18H,6H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542681 (CHEMBL4641113) Show SMILES Cc1ccc(cc1)N1C(=O)CC(S)C1=O Show InChI InChI=1S/C11H11NO2S/c1-7-2-4-8(5-3-7)12-10(13)6-9(15)11(12)14/h2-5,9,15H,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542696 (CHEMBL4645866) Show SMILES FC(F)(F)Oc1ccc(cc1Cl)N1C(=O)CC(S)C1=O Show InChI InChI=1S/C11H7ClF3NO3S/c12-6-3-5(1-2-7(6)19-11(13,14)15)16-9(17)4-8(20)10(16)18/h1-3,8,20H,4H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542698 (CHEMBL4636059) Show SMILES CC(=O)c1ccc(cc1)N1C(=O)CC(S)C1=O Show InChI InChI=1S/C12H11NO3S/c1-7(14)8-2-4-9(5-3-8)13-11(15)6-10(17)12(13)16/h2-5,10,17H,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50542686 (CHEMBL4648952) Show SMILES SC1CC(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C10H7Cl2NO2S/c11-6-2-1-5(3-7(6)12)13-9(14)4-8(16)10(13)15/h1-3,8,16H,4H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC3 expressed in insect cells using R-H-K-K(Ac)-AFC as substrate by fluorescence assay				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542686 (CHEMBL4648952) Show SMILES SC1CC(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C10H7Cl2NO2S/c11-6-2-1-5(3-7(6)12)13-9(14)4-8(16)10(13)15/h1-3,8,16H,4H2	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 expressed in baculovirus infected insect cells using R-H-K(Ac)-K(Ac)-AFC as substrate by fluorescence assay				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50542698 (CHEMBL4636059) Show SMILES CC(=O)c1ccc(cc1)N1C(=O)CC(S)C1=O Show InChI InChI=1S/C12H11NO3S/c1-7(14)8-2-4-9(5-3-8)13-11(15)6-10(17)12(13)16/h2-5,10,17H,6H2,1H3	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 expressed in baculovirus infected insect cells using R-H-K(Ac)-K(Ac)-AFC as substrate by fluorescence assay				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50542698 (CHEMBL4636059) Show SMILES CC(=O)c1ccc(cc1)N1C(=O)CC(S)C1=O Show InChI InChI=1S/C12H11NO3S/c1-7(14)8-2-4-9(5-3-8)13-11(15)6-10(17)12(13)16/h2-5,10,17H,6H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC3 expressed in insect cells using R-H-K-K(Ac)-AFC as substrate by fluorescence assay				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542693 (CHEMBL4637937) Show SMILES COc1ccc(cc1)N1C(=O)CC(S)C1=O Show InChI InChI=1S/C11H11NO3S/c1-15-8-4-2-7(3-5-8)12-10(13)6-9(16)11(12)14/h2-5,9,16H,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.12E+5	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542695 (CHEMBL4632709) Show SMILES COc1ccc(cc1OC)N1C(=O)CC(S)C1=O Show InChI InChI=1S/C12H13NO4S/c1-16-8-4-3-7(5-9(8)17-2)13-11(14)6-10(18)12(13)15/h3-5,10,18H,6H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542706 (CHEMBL4644417) Show SMILES CC(=O)SCC1CC(=O)N(C1=O)c1ccc(cc1)C(C)=O Show InChI InChI=1S/C15H15NO4S/c1-9(17)11-3-5-13(6-4-11)16-14(19)7-12(15(16)20)8-21-10(2)18/h3-6,12H,7-8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50542705 (CHEMBL4638365) Show SMILES CC(=O)SCC1CC(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C13H11Cl2NO3S/c1-7(17)20-6-8-4-12(18)16(13(8)19)9-2-3-10(14)11(15)5-9/h2-3,5,8H,4,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...				J Med Chem 63: 8359-8368 (2020) Article DOI: 10.1021/acs.jmedchem.0c00584 BindingDB Entry DOI: 10.7270/Q20005N6
					More data for this Ligand-Target Pair

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