Compile Data Set for Download or QSAR

Found 185 hits of ki data for polymerid = 50002800   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thermolysin (Bacillus thermoproteolyticus)	BDBM50474105 (CHEMBL43341) Show SMILES CC(C)CC(NP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(C)C(O)=O Show InChI InChI=1S/C25H34N3O7P/c1-17(2)14-21(23(29)26-18(3)24(30)31)28-36(33,34)22(15-19-10-6-4-7-11-19)27-25(32)35-16-20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3,(H,26,29)(H,27,32)(H,30,31)(H2,28,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.0680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Marburg Curated by ChEMBL					Assay Description pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L)				J Med Chem 45: 1585-97 (2002) Article DOI: 10.1021/jm011039x BindingDB Entry DOI: 10.7270/Q25B057T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thermolysin (Bacillus thermoproteolyticus)	BDBM50006111 ((ZFPLA) 2-[2-(2-Benzyloxycarbonylamino-3-phenyl-pr...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(C(=O)OCc1ccccc1)P(O)(O)=O)C(=O)N[C@@H](C)C(O)=O Show InChI InChI=1S/C26H34N3O9P/c1-17(2)14-21(23(30)27-18(3)25(32)33)28-24(31)22(15-19-10-6-4-7-11-19)29(39(35,36)37)26(34)38-16-20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3,(H,27,30)(H,28,31)(H,32,33)(H2,35,36,37)/t18-,21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory constant against thermolysin.				J Med Chem 35: 1671-84 (1992) BindingDB Entry DOI: 10.7270/Q2DR2W3S
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50474138 (CHEMBL38873) Show SMILES CCCCCCP(O)(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC Show InChI InChI=1S/C24H39N4O4P/c1-5-6-7-10-13-33(31,32)28-22(14-17(2)3)24(30)27-21(23(29)25-4)15-18-16-26-20-12-9-8-11-19(18)20/h8-9,11-12,16-17,21-22,26H,5-7,10,13-15H2,1-4H3,(H,25,29)(H,27,30)(H2,28,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Marburg Curated by ChEMBL					Assay Description pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L)				J Med Chem 45: 1585-97 (2002) Article DOI: 10.1021/jm011039x BindingDB Entry DOI: 10.7270/Q25B057T
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50070927 (CHEMBL3409520) Show SMILES [Li+].[Li+].CC[C@H](NC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1)C([O-])=O |r| Show InChI InChI=1S/C19H30N3O7P/c1-4-15(18(24)25)21-17(23)16(10-13(2)3)22-30(27,28)12-20-19(26)29-11-14-8-6-5-7-9-14/h5-9,13,15-16H,4,10-12H2,1-3H3,(H,20,26)(H,21,23)(H,24,25)(H2,22,27,28)/p-2/t15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay				Eur J Med Chem 90: 897-915 (2015) Article DOI: 10.1016/j.ejmech.2014.11.056 BindingDB Entry DOI: 10.7270/Q2FJ2JFC
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50070925 (CHEMBL3409522) Show SMILES [Li+].[Li+].CCCC[C@H](NC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1)C([O-])=O |r| Show InChI InChI=1S/C21H34N3O7P.2Li/c1-4-5-11-17(20(26)27)23-19(25)18(12-15(2)3)24-32(29,30)14-22-21(28)31-13-16-9-7-6-8-10-16;;/h6-10,15,17-18H,4-5,11-14H2,1-3H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30);;/q;2*+1/p-2/t17-,18-;;/m0../s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay				Eur J Med Chem 90: 897-915 (2015) Article DOI: 10.1016/j.ejmech.2014.11.056 BindingDB Entry DOI: 10.7270/Q2FJ2JFC
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50070926 (CHEMBL3409521) Show SMILES [Li+].[Li+].CCC[C@H](NC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1)C([O-])=O |r| Show InChI InChI=1S/C20H32N3O7P/c1-4-8-16(19(25)26)22-18(24)17(11-14(2)3)23-31(28,29)13-21-20(27)30-12-15-9-6-5-7-10-15/h5-7,9-10,14,16-17H,4,8,11-13H2,1-3H3,(H,21,27)(H,22,24)(H,25,26)(H2,23,28,29)/p-2/t16-,17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay				Eur J Med Chem 90: 897-915 (2015) Article DOI: 10.1016/j.ejmech.2014.11.056 BindingDB Entry DOI: 10.7270/Q2FJ2JFC
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50070924 (CHEMBL3409523) Show SMILES [Li+].[Li+].CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C([O-])=O |r| Show InChI InChI=1S/C20H32N3O7P.2Li/c1-13(2)10-16(18(24)22-17(14(3)4)19(25)26)23-31(28,29)12-21-20(27)30-11-15-8-6-5-7-9-15;;/h5-9,13-14,16-17H,10-12H2,1-4H3,(H,21,27)(H,22,24)(H,25,26)(H2,23,28,29);;/q;2*+1/p-2/t16-,17-;;/m0../s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay				Eur J Med Chem 90: 897-915 (2015) Article DOI: 10.1016/j.ejmech.2014.11.056 BindingDB Entry DOI: 10.7270/Q2FJ2JFC
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50006110 ((ZGPLA) 2-[2-(2-Benzyloxycarbonylamino-acetylamino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)OCc1ccccc1)P(O)(O)=O)C(O)=O Show InChI InChI=1S/C22H34N3O9P/c1-14(2)10-17(20(27)24-18(21(28)29)11-15(3)4)23-19(26)12-25(35(31,32)33)22(30)34-13-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H,23,26)(H,24,27)(H,28,29)(H2,31,32,33)/t17-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory constant against thermolysin.				J Med Chem 35: 1671-84 (1992) BindingDB Entry DOI: 10.7270/Q2DR2W3S
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50474141 (CHEMBL43176) Show SMILES CC(C)CC(NC(=O)C(CC(C)C)NP(O)(=O)CNC(=O)OCc1ccccc1)C(O)=O Show InChI InChI=1S/C21H34N3O7P/c1-14(2)10-17(19(25)23-18(20(26)27)11-15(3)4)24-32(29,30)13-22-21(28)31-12-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	9.12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Marburg Curated by ChEMBL					Assay Description pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L)				J Med Chem 45: 1585-97 (2002) Article DOI: 10.1021/jm011039x BindingDB Entry DOI: 10.7270/Q25B057T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thermolysin (Bacillus thermoproteolyticus)	BDBM50070937 (CHEMBL3409510) Show SMILES [Li+].[Li+].CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1)C([O-])=O |r| Show InChI InChI=1S/C21H34N3O7P/c1-14(2)10-17(19(25)23-18(20(26)27)11-15(3)4)24-32(29,30)13-22-21(28)31-12-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30)/p-2/t17-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay				Eur J Med Chem 90: 897-915 (2015) Article DOI: 10.1016/j.ejmech.2014.11.056 BindingDB Entry DOI: 10.7270/Q2FJ2JFC
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50121452 ((S)-2-{(S)-2-[(Benzyloxycarbonylamino-methyl)-hydr...) Show SMILES CC(C)C[C@H](CP(O)([O-])=CNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C([O-])=O Show InChI InChI=1S/C22H34N2O7P/c1-15(2)10-18(20(25)24-19(21(26)27)11-16(3)4)13-32(29,30)14-23-22(28)31-12-17-8-6-5-7-9-17/h5-9,14-16,18-19H,10-13H2,1-4H3,(H4-,23,24,25,26,27,28,29,30)/q-1/p-1/t18-,19+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Competitive inhibition of thermolysin evaluated using the substrate FAGLA (Sigma); Competitive binding observed				Bioorg Med Chem Lett 12: 3625-7 (2002) BindingDB Entry DOI: 10.7270/Q269744P
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50474083 (CHEMBL41348) Show SMILES CC(C)CC(NC(CCNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C38H45N5O8/c1-24(2)19-31(35(45)42-33(37(48)49)21-27-22-40-29-16-10-9-15-28(27)29)41-30(36(46)47)17-18-39-34(44)32(20-25-11-5-3-6-12-25)43-38(50)51-23-26-13-7-4-8-14-26/h3-16,22,24,30-33,40-41H,17-21,23H2,1-2H3,(H,39,44)(H,42,45)(H,43,50)(H,46,47)(H,48,49)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Marburg Curated by ChEMBL					Assay Description pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L)				J Med Chem 45: 1585-97 (2002) Article DOI: 10.1021/jm011039x BindingDB Entry DOI: 10.7270/Q25B057T
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50321113 (3-Phenyl-2-(trifluoromethyl)quinazolin-4(3H)-one |...) Show SMILES FC(F)(F)c1nc2ccccc2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C15H9F3N2O/c16-15(17,18)14-19-12-9-5-4-8-11(12)13(21)20(14)10-6-2-1-3-7-10/h1-9H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Troms£ Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus thermolysin after 15 mins by microplate fluorescence analysis in presence of 0.5 to 2 mM substrate FaGLa				Bioorg Med Chem 18: 4317-27 (2010) Article DOI: 10.1016/j.bmc.2010.04.083 BindingDB Entry DOI: 10.7270/Q2QV3MP9
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50070922 (CHEMBL3409525) Show SMILES [Li+].[Li+].CCC(C)[C@H](NC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1)C([O-])=O |r| Show InChI InChI=1S/C21H34N3O7P.2Li/c1-5-15(4)18(20(26)27)23-19(25)17(11-14(2)3)24-32(29,30)13-22-21(28)31-12-16-9-7-6-8-10-16;;/h6-10,14-15,17-18H,5,11-13H2,1-4H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30);;/q;2*+1/p-2/t15?,17-,18-;;/m0../s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay				Eur J Med Chem 90: 897-915 (2015) Article DOI: 10.1016/j.ejmech.2014.11.056 BindingDB Entry DOI: 10.7270/Q2FJ2JFC
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50474089 (CHEMBL43228) Show SMILES CC(C)CC(NP(O)(=O)CNC(=O)OCc1ccccc1)C(=O)NC(C)C(O)=O Show InChI InChI=1S/C18H28N3O7P/c1-12(2)9-15(16(22)20-13(3)17(23)24)21-29(26,27)11-19-18(25)28-10-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,19,25)(H,20,22)(H,23,24)(H2,21,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	16.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Marburg Curated by ChEMBL					Assay Description pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L)				J Med Chem 45: 1585-97 (2002) Article DOI: 10.1021/jm011039x BindingDB Entry DOI: 10.7270/Q25B057T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thermolysin (Bacillus thermoproteolyticus)	BDBM50474119 (CHEMBL40208) Show SMILES CC(C)CC(CP(O)(=O)CNC(=O)OCc1ccccc1)C(=O)NC(C)C(O)=O Show InChI InChI=1S/C19H29N2O7P/c1-13(2)9-16(17(22)21-14(3)18(23)24)11-29(26,27)12-20-19(25)28-10-15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,20,25)(H,21,22)(H,23,24)(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Marburg Curated by ChEMBL					Assay Description pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L)				J Med Chem 45: 1585-97 (2002) Article DOI: 10.1021/jm011039x BindingDB Entry DOI: 10.7270/Q25B057T
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50396788 (CHEMBL2172738) Show SMILES CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C([O-])=O |r| Show InChI InChI=1S/C18H28N3O7P/c1-12(2)9-15(16(22)20-13(3)17(23)24)21-29(26,27)11-19-18(25)28-10-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,19,25)(H,20,22)(H,23,24)(H2,21,26,27)/p-2/t13-,15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay				Eur J Med Chem 90: 897-915 (2015) Article DOI: 10.1016/j.ejmech.2014.11.056 BindingDB Entry DOI: 10.7270/Q2FJ2JFC
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50474137 (CHEMBL41500) Show SMILES CC(C)CC(NP(O)(O)=O)C(=O)NC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C15H23N2O6P/c1-10(2)8-12(17-24(21,22)23)14(18)16-13(15(19)20)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,18)(H,19,20)(H3,17,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	19.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Marburg Curated by ChEMBL					Assay Description pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L)				J Med Chem 45: 1585-97 (2002) Article DOI: 10.1021/jm011039x BindingDB Entry DOI: 10.7270/Q25B057T
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50396788 (CHEMBL2172738) Show SMILES CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C([O-])=O |r| Show InChI InChI=1S/C18H28N3O7P/c1-12(2)9-15(16(22)20-13(3)17(23)24)21-29(26,27)11-19-18(25)28-10-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,19,25)(H,20,22)(H,23,24)(H2,21,26,27)/p-2/t13-,15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Binding affinity to Bacillus thermoproteolyticus thermolysin by UV-VIS spectrophotometric analysis in presence of 2-furanacryloyl-Gly-Leu-NH2				J Med Chem 55: 8283-302 (2012) Article DOI: 10.1021/jm300472k BindingDB Entry DOI: 10.7270/Q27M092M
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50070917 (CHEMBL3409528) Show SMILES [Li+].[Li+].CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cccs1)C([O-])=O |r| Show InChI InChI=1S/C22H30N3O7PS.2Li/c1-15(2)11-18(20(26)24-19(21(27)28)12-17-9-6-10-34-17)25-33(30,31)14-23-22(29)32-13-16-7-4-3-5-8-16;;/h3-10,15,18-19H,11-14H2,1-2H3,(H,23,29)(H,24,26)(H,27,28)(H2,25,30,31);;/q;2*+1/p-2/t18-,19-;;/m0../s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay				Eur J Med Chem 90: 897-915 (2015) Article DOI: 10.1016/j.ejmech.2014.11.056 BindingDB Entry DOI: 10.7270/Q2FJ2JFC
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50070931 (CHEMBL3409516) Show SMILES [Li+].CCC(C)CNC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C20H34N3O5P/c1-5-16(4)12-21-19(24)18(11-15(2)3)23-29(26,27)14-22-20(25)28-13-17-9-7-6-8-10-17/h6-10,15-16,18H,5,11-14H2,1-4H3,(H,21,24)(H,22,25)(H2,23,26,27)/p-1/t16?,18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay				Eur J Med Chem 90: 897-915 (2015) Article DOI: 10.1016/j.ejmech.2014.11.056 BindingDB Entry DOI: 10.7270/Q2FJ2JFC
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50251742 ((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...) Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory constant against thermolysin.				J Med Chem 35: 1671-84 (1992) BindingDB Entry DOI: 10.7270/Q2DR2W3S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thermolysin (Bacillus thermoproteolyticus)	BDBM50474108 (CHEMBL41289) Show SMILES CC(C)CC(NP(O)(=O)OC1OC(C)C(O)C(O)C1O)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	28.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Marburg Curated by ChEMBL					Assay Description pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L)				J Med Chem 45: 1585-97 (2002) Article DOI: 10.1021/jm011039x BindingDB Entry DOI: 10.7270/Q25B057T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thermolysin (Bacillus thermoproteolyticus)	BDBM50070938 (CHEMBL3409509) Show SMILES [Li+].[Li+].CCC[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C([O-])=O |r| Show InChI InChI=1S/C20H32N3O7P/c1-4-8-16(18(24)22-17(19(25)26)11-14(2)3)23-31(28,29)13-21-20(27)30-12-15-9-6-5-7-10-15/h5-7,9-10,14,16-17H,4,8,11-13H2,1-3H3,(H,21,27)(H,22,24)(H,25,26)(H2,23,28,29)/p-2/t16-,17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay				Eur J Med Chem 90: 897-915 (2015) Article DOI: 10.1016/j.ejmech.2014.11.056 BindingDB Entry DOI: 10.7270/Q2FJ2JFC
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50442257 (CHEMBL2028192) Show SMILES CC(C)C[C@H](NP([O-])(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/p-2/t12-,16-,17-,18-,19+,20+,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science and Technology Normal University Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus thermolysin using FA-Fly-Leu-NH2 as substrate at pH 7.5 after 15 mins by Henderson plot analysis				Bioorg Med Chem 21: 6778-87 (2013) Article DOI: 10.1016/j.bmc.2013.07.052 BindingDB Entry DOI: 10.7270/Q2CF9RJ6
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50070923 (CHEMBL3409524) Show SMILES [Li+].[Li+].CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@H](C([O-])=O)C(C)(C)C |r| Show InChI InChI=1S/C21H34N3O7P.2Li/c1-14(2)11-16(18(25)23-17(19(26)27)21(3,4)5)24-32(29,30)13-22-20(28)31-12-15-9-7-6-8-10-15;;/h6-10,14,16-17H,11-13H2,1-5H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30);;/q;2*+1/p-2/t16-,17+;;/m0../s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay				Eur J Med Chem 90: 897-915 (2015) Article DOI: 10.1016/j.ejmech.2014.11.056 BindingDB Entry DOI: 10.7270/Q2FJ2JFC
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50442257 (CHEMBL2028192) Show SMILES CC(C)C[C@H](NP([O-])(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/p-2/t12-,16-,17-,18-,19+,20+,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science and Technology Normal University Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus thermolysin				Bioorg Med Chem 21: 6778-87 (2013) Article DOI: 10.1016/j.bmc.2013.07.052 BindingDB Entry DOI: 10.7270/Q2CF9RJ6
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50422014 (CHEMBL319299) Show SMILES CC(C)C[C@H](NC(CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C27H33N3O5/c1-17(2)14-23(29-22(26(32)33)13-12-18-8-4-3-5-9-18)25(31)30-24(27(34)35)15-19-16-28-21-11-7-6-10-20(19)21/h3-11,16-17,22-24,28-29H,12-15H2,1-2H3,(H,30,31)(H,32,33)(H,34,35)/t22?,23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Marburg Curated by ChEMBL					Assay Description pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L)				J Med Chem 45: 1585-97 (2002) Article DOI: 10.1021/jm011039x BindingDB Entry DOI: 10.7270/Q25B057T
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50070933 (CHEMBL3409514) Show SMILES [Li+].CC(C)CNC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C19H32N3O5P/c1-14(2)10-17(18(23)20-11-15(3)4)22-28(25,26)13-21-19(24)27-12-16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3,(H,20,23)(H,21,24)(H2,22,25,26)/p-1/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay				Eur J Med Chem 90: 897-915 (2015) Article DOI: 10.1016/j.ejmech.2014.11.056 BindingDB Entry DOI: 10.7270/Q2FJ2JFC
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50070920 (CHEMBL3409526) Show SMILES [Li+].[Li+].CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)(C)C)C([O-])=O |r| Show InChI InChI=1S/C22H36N3O7P.2Li/c1-15(2)11-17(19(26)24-18(20(27)28)12-22(3,4)5)25-33(30,31)14-23-21(29)32-13-16-9-7-6-8-10-16;;/h6-10,15,17-18H,11-14H2,1-5H3,(H,23,29)(H,24,26)(H,27,28)(H2,25,30,31);;/q;2*+1/p-2/t17-,18-;;/m0../s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay				Eur J Med Chem 90: 897-915 (2015) Article DOI: 10.1016/j.ejmech.2014.11.056 BindingDB Entry DOI: 10.7270/Q2FJ2JFC
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50121454 ((S)-2-[(Aminomethyl-diphenyl-silanyl)-methyl]-4-me...) Show SMILES CC(C)C[C@@H](CO)C[Si](CN)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C20H29NOSi/c1-17(2)13-18(14-22)15-23(16-21,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,22H,13-16,21H2,1-2H3/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Competitive inhibition of thermolysin evaluated using the substrate FAGLA (Sigma); Competitive binding observed				Bioorg Med Chem Lett 12: 3625-7 (2002) BindingDB Entry DOI: 10.7270/Q269744P
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50121453 (CHEMBL334233 | Sodium; (S)-2-[(S)-2-({dihydroxy-[(...) Show SMILES CC(C)C[C@H](C[Si](O)(O)CNC(=O)CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C([O-])=O Show InChI InChI=1S/C23H38N2O6Si/c1-16(2)12-19(22(27)25-20(23(28)29)13-17(3)4)14-32(30,31)15-24-21(26)11-10-18-8-6-5-7-9-18/h5-9,16-17,19-20,30-31H,10-15H2,1-4H3,(H,24,26)(H,25,27)(H,28,29)/p-1/t19-,20+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Competitive inhibition of thermolysin evaluated using the substrate FAGLA (Sigma); Competitive binding observed				Bioorg Med Chem Lett 12: 3625-7 (2002) BindingDB Entry DOI: 10.7270/Q269744P
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50070930 (CHEMBL3409517) Show SMILES [Li+].CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)NCCC(C)(C)C |r| Show InChI InChI=1S/C21H36N3O5P/c1-16(2)13-18(19(25)22-12-11-21(3,4)5)24-30(27,28)15-23-20(26)29-14-17-9-7-6-8-10-17/h6-10,16,18H,11-15H2,1-5H3,(H,22,25)(H,23,26)(H2,24,27,28)/p-1/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay				Eur J Med Chem 90: 897-915 (2015) Article DOI: 10.1016/j.ejmech.2014.11.056 BindingDB Entry DOI: 10.7270/Q2FJ2JFC
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50474144 (CHEMBL287732) Show SMILES CC(C)CC(OP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(C)C(O)=O Show InChI InChI=1S/C25H33N2O8P/c1-17(2)14-21(23(28)26-18(3)24(29)30)35-36(32,33)22(15-19-10-6-4-7-11-19)27-25(31)34-16-20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3,(H,26,28)(H,27,31)(H,29,30)(H,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Marburg Curated by ChEMBL					Assay Description pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L)				J Med Chem 45: 1585-97 (2002) Article DOI: 10.1021/jm011039x BindingDB Entry DOI: 10.7270/Q25B057T
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50422014 (CHEMBL319299) Show SMILES CC(C)C[C@H](NC(CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C27H33N3O5/c1-17(2)14-23(29-22(26(32)33)13-12-18-8-4-3-5-9-18)25(31)30-24(27(34)35)15-19-16-28-21-11-7-6-10-20(19)21/h3-11,16-17,22-24,28-29H,12-15H2,1-2H3,(H,30,31)(H,32,33)(H,34,35)/t22?,23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Tested for binding affinity against Thermolysin				J Med Chem 37: 1865-73 (1994) BindingDB Entry DOI: 10.7270/Q2474BG6
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50006117 ((CLT) 2-{1-[1-Carboxy-2-(1H-indol-3-yl)-ethylcarba...) Show SMILES CC(C)C[C@H](NC(CCCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C28H35N3O5/c1-18(2)15-24(30-23(27(33)34)14-8-11-19-9-4-3-5-10-19)26(32)31-25(28(35)36)16-20-17-29-22-13-7-6-12-21(20)22/h3-7,9-10,12-13,17-18,23-25,29-30H,8,11,14-16H2,1-2H3,(H,31,32)(H,33,34)(H,35,36)/t23?,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory constant against thermolysin.				J Med Chem 35: 1671-84 (1992) BindingDB Entry DOI: 10.7270/Q2DR2W3S
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50474113 (CHEMBL289703) Show SMILES CCCCCCP(O)(=O)CC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC Show InChI InChI=1S/C25H40N3O4P/c1-5-6-7-10-13-33(31,32)17-20(14-18(2)3)24(29)28-23(25(30)26-4)15-19-16-27-22-12-9-8-11-21(19)22/h8-9,11-12,16,18,20,23,27H,5-7,10,13-15,17H2,1-4H3,(H,26,30)(H,28,29)(H,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	52.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Marburg Curated by ChEMBL					Assay Description pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L)				J Med Chem 45: 1585-97 (2002) Article DOI: 10.1021/jm011039x BindingDB Entry DOI: 10.7270/Q25B057T
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50070918 (CHEMBL3559407) Show SMILES CC(C)C[C@H](NP(O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H32N3O7P/c1-17(2)13-20(22(28)26-21(23(29)30)14-18-9-5-3-6-10-18)27-35(32,33)16-25-24(31)34-15-19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3,(H,25,31)(H,26,28)(H,29,30)(H2,27,32,33)/t20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay				Eur J Med Chem 90: 897-915 (2015) Article DOI: 10.1016/j.ejmech.2014.11.056 BindingDB Entry DOI: 10.7270/Q2FJ2JFC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thermolysin (Bacillus thermoproteolyticus)	BDBM50070934 (CHEMBL3409513) Show SMILES [Li+].CCCCCNC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C20H34N3O5P/c1-4-5-9-12-21-19(24)18(13-16(2)3)23-29(26,27)15-22-20(25)28-14-17-10-7-6-8-11-17/h6-8,10-11,16,18H,4-5,9,12-15H2,1-3H3,(H,21,24)(H,22,25)(H2,23,26,27)/p-1/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay				Eur J Med Chem 90: 897-915 (2015) Article DOI: 10.1016/j.ejmech.2014.11.056 BindingDB Entry DOI: 10.7270/Q2FJ2JFC
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50070936 (CHEMBL3409511) Show SMILES [Li+].CCCNC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C18H30N3O5P/c1-4-10-19-17(22)16(11-14(2)3)21-27(24,25)13-20-18(23)26-12-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3,(H,19,22)(H,20,23)(H2,21,24,25)/p-1/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay				Eur J Med Chem 90: 897-915 (2015) Article DOI: 10.1016/j.ejmech.2014.11.056 BindingDB Entry DOI: 10.7270/Q2FJ2JFC
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50474121 (CHEMBL436544) Show SMILES CC(C)CC(CP(O)(=O)CNC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C25H33N2O7P/c1-18(2)13-21(23(28)27-22(24(29)30)14-19-9-5-3-6-10-19)16-35(32,33)17-26-25(31)34-15-20-11-7-4-8-12-20/h3-12,18,21-22H,13-17H2,1-2H3,(H,26,31)(H,27,28)(H,29,30)(H,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	66.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Marburg Curated by ChEMBL					Assay Description pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L)				J Med Chem 45: 1585-97 (2002) Article DOI: 10.1021/jm011039x BindingDB Entry DOI: 10.7270/Q25B057T
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50070935 (CHEMBL3409512) Show SMILES [Li+].CCCCNC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C19H32N3O5P/c1-4-5-11-20-18(23)17(12-15(2)3)22-28(25,26)14-21-19(24)27-13-16-9-7-6-8-10-16/h6-10,15,17H,4-5,11-14H2,1-3H3,(H,20,23)(H,21,24)(H2,22,25,26)/p-1/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay				Eur J Med Chem 90: 897-915 (2015) Article DOI: 10.1016/j.ejmech.2014.11.056 BindingDB Entry DOI: 10.7270/Q2FJ2JFC
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50070941 (CHEMBL3409506) Show SMILES [Li+].CC(C)CCNC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C20H34N3O5P/c1-15(2)10-11-21-19(24)18(12-16(3)4)23-29(26,27)14-22-20(25)28-13-17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3,(H,21,24)(H,22,25)(H2,23,26,27)/p-1/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay				Eur J Med Chem 90: 897-915 (2015) Article DOI: 10.1016/j.ejmech.2014.11.056 BindingDB Entry DOI: 10.7270/Q2FJ2JFC
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50474120 (CHEMBL290692) Show SMILES CC(C)CC(NP(O)(=O)CNC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C24H32N3O7P/c1-17(2)13-20(22(28)26-21(23(29)30)14-18-9-5-3-6-10-18)27-35(32,33)16-25-24(31)34-15-19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3,(H,25,31)(H,26,28)(H,29,30)(H2,27,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	75.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Marburg Curated by ChEMBL					Assay Description pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L)				J Med Chem 45: 1585-97 (2002) Article DOI: 10.1021/jm011039x BindingDB Entry DOI: 10.7270/Q25B057T
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50070932 (CHEMBL3409515) Show SMILES [Li+].CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(C)(C)C |r| Show InChI InChI=1S/C20H34N3O5P/c1-15(2)11-17(18(24)21-13-20(3,4)5)23-29(26,27)14-22-19(25)28-12-16-9-7-6-8-10-16/h6-10,15,17H,11-14H2,1-5H3,(H,21,24)(H,22,25)(H2,23,26,27)/p-1/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay				Eur J Med Chem 90: 897-915 (2015) Article DOI: 10.1016/j.ejmech.2014.11.056 BindingDB Entry DOI: 10.7270/Q2FJ2JFC
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50474139 (CHEMBL41376) Show SMILES CC(C)CC(CP(O)(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(O)=O Show InChI InChI=1S/C22H35N2O7P/c1-15(2)10-18(20(25)24-19(21(26)27)11-16(3)4)13-32(29,30)14-23-22(28)31-12-17-8-6-5-7-9-17/h5-9,15-16,18-19H,10-14H2,1-4H3,(H,23,28)(H,24,25)(H,26,27)(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	181	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Marburg Curated by ChEMBL					Assay Description pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L)				J Med Chem 45: 1585-97 (2002) Article DOI: 10.1021/jm011039x BindingDB Entry DOI: 10.7270/Q25B057T
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50070928 (CHEMBL3409519) Show SMILES [Li+].CC(C)C[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)NCCc1cccs1 |r| Show InChI InChI=1S/C21H30N3O5PS/c1-16(2)13-19(20(25)22-11-10-18-9-6-12-31-18)24-30(27,28)15-23-21(26)29-14-17-7-4-3-5-8-17/h3-9,12,16,19H,10-11,13-15H2,1-2H3,(H,22,25)(H,23,26)(H2,24,27,28)/p-1/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	189	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay				Eur J Med Chem 90: 897-915 (2015) Article DOI: 10.1016/j.ejmech.2014.11.056 BindingDB Entry DOI: 10.7270/Q2FJ2JFC
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50474086 (CHEMBL288359) Show SMILES CC(C)CC(NC(CCNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O)C(=O)NC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C36H44N4O8/c1-24(2)20-29(33(42)39-31(35(45)46)22-26-14-8-4-9-15-26)38-28(34(43)44)18-19-37-32(41)30(21-25-12-6-3-7-13-25)40-36(47)48-23-27-16-10-5-11-17-27/h3-17,24,28-31,38H,18-23H2,1-2H3,(H,37,41)(H,39,42)(H,40,47)(H,43,44)(H,45,46)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	218	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Marburg Curated by ChEMBL					Assay Description pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L)				J Med Chem 45: 1585-97 (2002) Article DOI: 10.1021/jm011039x BindingDB Entry DOI: 10.7270/Q25B057T
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50070943 (CHEMBL3409505) Show SMILES [Li+].CCC[C@H](NP([O-])(=O)CNC(=O)OCc1ccccc1)C(=O)NCCC(C)C |r| Show InChI InChI=1S/C19H32N3O5P/c1-4-8-17(18(23)20-12-11-15(2)3)22-28(25,26)14-21-19(24)27-13-16-9-6-5-7-10-16/h5-7,9-10,15,17H,4,8,11-14H2,1-3H3,(H,20,23)(H,21,24)(H2,22,25,26)/p-1/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	219	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay				Eur J Med Chem 90: 897-915 (2015) Article DOI: 10.1016/j.ejmech.2014.11.056 BindingDB Entry DOI: 10.7270/Q2FJ2JFC
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50321123 (3-(Isopropylideneamino)-2,2-dimethyl-2,3-dihydroqu...) Show SMILES [#6]\[#6](-[#6])=[#7]\[#7]1-[#6](=O)-c2ccccc2-[#7]C1([#6])[#6] Show InChI InChI=1S/C13H17N3O/c1-9(2)15-16-12(17)10-7-5-6-8-11(10)14-13(16,3)4/h5-8,14H,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	243	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Troms£ Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus thermolysin after 15 mins by microplate fluorescence analysis in presence of 0.5 to 2 mM substrate FaGLa				Bioorg Med Chem 18: 4317-27 (2010) Article DOI: 10.1016/j.bmc.2010.04.083 BindingDB Entry DOI: 10.7270/Q2QV3MP9
					More data for this Ligand-Target Pair

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