Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with Target = 'ATP-dependent Clp protease proteolytic subunit' AND taxid = 83333   

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
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50518615 (CHEMBL4551942) Show SMILES Nc1cccc(c1)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C27H25N2O5P/c28-23-14-10-13-22(19-23)26(29-27(30)32-20-21-11-4-1-5-12-21)35(31,33-24-15-6-2-7-16-24)34-25-17-8-3-9-18-25/h1-19,26H,20,28H2,(H,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...				J Med Chem 62: 774-797 (2019) Article DOI: 10.1021/acs.jmedchem.8b01466 BindingDB Entry DOI: 10.7270/Q28D00NR
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50518613 (CHEMBL4448860) Show SMILES NC(=N)Nc1cccc(c1)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C28H27N4O5P/c29-27(30)31-23-14-10-13-22(19-23)26(32-28(33)35-20-21-11-4-1-5-12-21)38(34,36-24-15-6-2-7-16-24)37-25-17-8-3-9-18-25/h1-19,26H,20H2,(H,32,33)(H4,29,30,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...				J Med Chem 62: 774-797 (2019) Article DOI: 10.1021/acs.jmedchem.8b01466 BindingDB Entry DOI: 10.7270/Q28D00NR
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50518612 (CHEMBL4444802) Show SMILES O=C(NC(c1ccc(cc1)N1CCNCC1)P(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C31H32N3O5P/c35-31(37-24-25-10-4-1-5-11-25)33-30(26-16-18-27(19-17-26)34-22-20-32-21-23-34)40(36,38-28-12-6-2-7-13-28)39-29-14-8-3-9-15-29/h1-19,30,32H,20-24H2,(H,33,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...				J Med Chem 62: 774-797 (2019) Article DOI: 10.1021/acs.jmedchem.8b01466 BindingDB Entry DOI: 10.7270/Q28D00NR
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50518616 (CHEMBL4483092) Show SMILES CN(C)c1ccc(cc1)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C29H29N2O5P/c1-31(2)25-20-18-24(19-21-25)28(30-29(32)34-22-23-12-6-3-7-13-23)37(33,35-26-14-8-4-9-15-26)36-27-16-10-5-11-17-27/h3-21,28H,22H2,1-2H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...				J Med Chem 62: 774-797 (2019) Article DOI: 10.1021/acs.jmedchem.8b01466 BindingDB Entry DOI: 10.7270/Q28D00NR
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50518619 (CHEMBL4575669) Show SMILES FC(F)(F)C(=O)Nc1ccc(cc1)C(NC(=O)OCc1ccc2OCOc2c1)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C30H24F3N2O8P/c31-30(32,33)28(36)34-22-14-12-21(13-15-22)27(35-29(37)39-18-20-11-16-25-26(17-20)41-19-40-25)44(38,42-23-7-3-1-4-8-23)43-24-9-5-2-6-10-24/h1-17,27H,18-19H2,(H,34,36)(H,35,37)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...				J Med Chem 62: 774-797 (2019) Article DOI: 10.1021/acs.jmedchem.8b01466 BindingDB Entry DOI: 10.7270/Q28D00NR
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50518624 (CHEMBL4472140) Show SMILES [O-][N+](=O)c1ccc(CCC(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 Show InChI InChI=1S/C29H27N2O7P/c32-29(36-22-24-10-4-1-5-11-24)30-28(21-18-23-16-19-25(20-17-23)31(33)34)39(35,37-26-12-6-2-7-13-26)38-27-14-8-3-9-15-27/h1-17,19-20,28H,18,21-22H2,(H,30,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...				J Med Chem 62: 774-797 (2019) Article DOI: 10.1021/acs.jmedchem.8b01466 BindingDB Entry DOI: 10.7270/Q28D00NR
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50518623 (CHEMBL4446383) Show SMILES FC(F)(F)c1ccc(CC(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 Show InChI InChI=1S/C29H25F3NO5P/c30-29(31,32)24-18-16-22(17-19-24)20-27(33-28(34)36-21-23-10-4-1-5-11-23)39(35,37-25-12-6-2-7-13-25)38-26-14-8-3-9-15-26/h1-19,27H,20-21H2,(H,33,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...				J Med Chem 62: 774-797 (2019) Article DOI: 10.1021/acs.jmedchem.8b01466 BindingDB Entry DOI: 10.7270/Q28D00NR
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50527103 (CHEMBL4449233) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)CCl |r| Show InChI InChI=1S/C24H29ClN2O5/c1-16(2)12-21(27-24(31)32-15-18-6-4-3-5-7-18)23(30)26-20(22(29)14-25)13-17-8-10-19(28)11-9-17/h3-11,16,20-21,28H,12-15H2,1-2H3,(H,26,30)(H,27,31)/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ClpP				J Med Chem 63: 3104-3119 (2020) Article DOI: 10.1021/acs.jmedchem.9b01746 BindingDB Entry DOI: 10.7270/Q21Z47V6
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50518611 (CHEMBL4461379) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl |r| Show InChI InChI=1S/C24H29ClN2O5/c1-16(2)12-21(27-24(31)32-15-18-8-10-19(28)11-9-18)23(30)26-20(22(29)14-25)13-17-6-4-3-5-7-17/h3-11,16,20-21,28H,12-15H2,1-2H3,(H,26,30)(H,27,31)/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...				J Med Chem 62: 774-797 (2019) Article DOI: 10.1021/acs.jmedchem.8b01466 BindingDB Entry DOI: 10.7270/Q28D00NR
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50518621 (CHEMBL4561263) Show SMILES COc1cccc(n1)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C27H25N2O6P/c1-32-25-19-11-18-24(28-25)26(29-27(30)33-20-21-12-5-2-6-13-21)36(31,34-22-14-7-3-8-15-22)35-23-16-9-4-10-17-23/h2-19,26H,20H2,1H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...				J Med Chem 62: 774-797 (2019) Article DOI: 10.1021/acs.jmedchem.8b01466 BindingDB Entry DOI: 10.7270/Q28D00NR
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50518617 (CHEMBL3770879) Show SMILES Nc1ccc(cc1)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C27H25N2O5P/c28-23-18-16-22(17-19-23)26(29-27(30)32-20-21-10-4-1-5-11-21)35(31,33-24-12-6-2-7-13-24)34-25-14-8-3-9-15-25/h1-19,26H,20,28H2,(H,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...				J Med Chem 62: 774-797 (2019) Article DOI: 10.1021/acs.jmedchem.8b01466 BindingDB Entry DOI: 10.7270/Q28D00NR
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50518622 (CHEMBL4585066) Show SMILES COC(=O)NC(c1ccc(cc1)C(N)=N)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C22H22N3O5P/c1-28-22(26)25-21(17-14-12-16(13-15-17)20(23)24)31(27,29-18-8-4-2-5-9-18)30-19-10-6-3-7-11-19/h2-15,21H,1H3,(H3,23,24)(H,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...				J Med Chem 62: 774-797 (2019) Article DOI: 10.1021/acs.jmedchem.8b01466 BindingDB Entry DOI: 10.7270/Q28D00NR
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50518618 (CHEMBL4469279) Show SMILES C[C@H](NC(=O)[C@H](CO)NC(=O)c1cccs1)C(=O)NC(Cc1ccc(NC(N)=N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 |r| Show InChI InChI=1S/C32H35N6O7PS/c1-21(35-30(41)26(20-39)37-31(42)27-13-8-18-47-27)29(40)38-28(19-22-14-16-23(17-15-22)36-32(33)34)46(43,44-24-9-4-2-5-10-24)45-25-11-6-3-7-12-25/h2-18,21,26,28,39H,19-20H2,1H3,(H,35,41)(H,37,42)(H,38,40)(H4,33,34,36)/t21-,26-,28?/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...				J Med Chem 62: 774-797 (2019) Article DOI: 10.1021/acs.jmedchem.8b01466 BindingDB Entry DOI: 10.7270/Q28D00NR
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50518620 (CHEMBL4442349) Show SMILES NC(=N)N1CC(C1)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C25H27N4O5P/c26-24(27)29-16-20(17-29)23(28-25(30)32-18-19-10-4-1-5-11-19)35(31,33-21-12-6-2-7-13-21)34-22-14-8-3-9-15-22/h1-15,20,23H,16-18H2,(H3,26,27)(H,28,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...				J Med Chem 62: 774-797 (2019) Article DOI: 10.1021/acs.jmedchem.8b01466 BindingDB Entry DOI: 10.7270/Q28D00NR
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50518614 (CHEMBL4476496) Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C32H28N3O5P/c33-30(34)26-18-16-25-21-27(19-17-24(25)20-26)31(35-32(36)38-22-23-10-4-1-5-11-23)41(37,39-28-12-6-2-7-13-28)40-29-14-8-3-9-15-29/h1-21,31H,22H2,(H3,33,34)(H,35,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...				J Med Chem 62: 774-797 (2019) Article DOI: 10.1021/acs.jmedchem.8b01466 BindingDB Entry DOI: 10.7270/Q28D00NR
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50518625 (CHEMBL4549411) Show SMILES Clc1ccc2[nH]cc(C(NC(=O)OCc3ccccc3)P(=O)(Oc3ccccc3)Oc3ccccc3)c2c1 Show InChI InChI=1S/C29H24ClN2O5P/c30-22-16-17-27-25(18-22)26(19-31-27)28(32-29(33)35-20-21-10-4-1-5-11-21)38(34,36-23-12-6-2-7-13-23)37-24-14-8-3-9-15-24/h1-19,28,31H,20H2,(H,32,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...				J Med Chem 62: 774-797 (2019) Article DOI: 10.1021/acs.jmedchem.8b01466 BindingDB Entry DOI: 10.7270/Q28D00NR
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50535810 (CHEMBL4593796) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6@H]-1-[#6@@H](-[#6][C@@]([#8])([#6]-[#6]-1=O)c1ccc(Br)cc1)\[#6]=[#6](\Cl)Cl |r| Show InChI InChI=1S/C17H17BrCl2O4/c1-2-24-16(22)15-10(7-14(19)20)8-17(23,9-13(15)21)11-3-5-12(18)6-4-11/h3-7,10,15,23H,2,8-9H2,1H3/t10-,15+,17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.54E+4	n/a	n/a	n/a	n/a
University of Oklahoma COBRE in Structural Biology Curated by ChEMBL					Assay Description Activation of Escherichia coli BLR (DE3) ClpP using Abz-DFAPKMALVPYNO2 as substrate assessed as degradation of substrate peptide preincubated for 15 ...				J Nat Prod 79: 1193-7 (2016) Article DOI: 10.1021/acs.jnatprod.5b01091 BindingDB Entry DOI: 10.7270/Q2TH8R62
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50535811 (CHEMBL4549588) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](COC(=O)[C@]1([H])C[C@@H](C)CN1C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C2=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\C=C\C=C\C=C\C=C\C(=O)NC1=C(O)CCC1=O |r,c:64| Show InChI InChI=1S/C47H57N7O11/c1-29-25-36-47(64)65-28-34(45(62)53-24-16-19-35(53)46(63)52(4)31(3)42(59)48-30(2)44(61)54(36)27-29)50-43(60)33(26-32-17-12-11-13-18-32)49-39(57)20-14-9-7-5-6-8-10-15-21-40(58)51-41-37(55)22-23-38(41)56/h5-15,17-18,20-21,29-31,33-36,55H,16,19,22-28H2,1-4H3,(H,48,59)(H,49,57)(H,50,60)(H,51,58)/b6-5+,9-7+,10-8+,20-14+,21-15+/t29-,30+,31+,33+,34+,35+,36+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
University of Oklahoma COBRE in Structural Biology Curated by ChEMBL					Assay Description Activation of Escherichia coli BLR (DE3) ClpP using FITC-beta casein as substrate assessed as degradation of substrate peptide preincubated for 15 mi...				J Nat Prod 79: 1193-7 (2016) Article DOI: 10.1021/acs.jnatprod.5b01091 BindingDB Entry DOI: 10.7270/Q2TH8R62
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50535811 (CHEMBL4549588) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](COC(=O)[C@]1([H])C[C@@H](C)CN1C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C2=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\C=C\C=C\C=C\C=C\C(=O)NC1=C(O)CCC1=O |r,c:64| Show InChI InChI=1S/C47H57N7O11/c1-29-25-36-47(64)65-28-34(45(62)53-24-16-19-35(53)46(63)52(4)31(3)42(59)48-30(2)44(61)54(36)27-29)50-43(60)33(26-32-17-12-11-13-18-32)49-39(57)20-14-9-7-5-6-8-10-15-21-40(58)51-41-37(55)22-23-38(41)56/h5-15,17-18,20-21,29-31,33-36,55H,16,19,22-28H2,1-4H3,(H,48,59)(H,49,57)(H,50,60)(H,51,58)/b6-5+,9-7+,10-8+,20-14+,21-15+/t29-,30+,31+,33+,34+,35+,36+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
University of Oklahoma COBRE in Structural Biology Curated by ChEMBL					Assay Description Activation of Escherichia coli BLR (DE3) ClpP using Abz-DFAPKMALVPYNO2 as substrate assessed as degradation of substrate peptide preincubated for 15 ...				J Nat Prod 79: 1193-7 (2016) Article DOI: 10.1021/acs.jnatprod.5b01091 BindingDB Entry DOI: 10.7270/Q2TH8R62
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50535809 (Sclerotiamide) Show SMILES [H][C@@]12C[C@]34CCCN3C(=O)[C@]1(NC4=O)[C@@H](O)[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=Cc31)C2(C)C |r,c:33,THB:13:12:1.2:8.7| Show InChI InChI=1S/C26H29N3O5/c1-22(2)10-8-13-15(34-22)7-6-14-17(13)27-20(32)25(14)18(30)26-16(23(25,3)4)12-24(19(31)28-26)9-5-11-29(24)21(26)33/h6-8,10,16,18,30H,5,9,11-12H2,1-4H3,(H,27,32)(H,28,31)/t16-,18-,24-,25-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.75E+4	n/a	n/a	n/a	n/a
University of Oklahoma COBRE in Structural Biology Curated by ChEMBL					Assay Description Activation of Escherichia coli BLR (DE3) ClpP using FITC-beta casein as substrate assessed as degradation of substrate peptide preincubated for 15 mi...				J Nat Prod 79: 1193-7 (2016) Article DOI: 10.1021/acs.jnatprod.5b01091 BindingDB Entry DOI: 10.7270/Q2TH8R62
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50535810 (CHEMBL4593796) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6@H]-1-[#6@@H](-[#6][C@@]([#8])([#6]-[#6]-1=O)c1ccc(Br)cc1)\[#6]=[#6](\Cl)Cl |r| Show InChI InChI=1S/C17H17BrCl2O4/c1-2-24-16(22)15-10(7-14(19)20)8-17(23,9-13(15)21)11-3-5-12(18)6-4-11/h3-7,10,15,23H,2,8-9H2,1H3/t10-,15+,17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.22E+4	n/a	n/a	n/a	n/a
University of Oklahoma COBRE in Structural Biology Curated by ChEMBL					Assay Description Activation of Escherichia coli BLR (DE3) ClpP using FITC-beta casein as substrate assessed as degradation of substrate peptide preincubated for 15 mi...				J Nat Prod 79: 1193-7 (2016) Article DOI: 10.1021/acs.jnatprod.5b01091 BindingDB Entry DOI: 10.7270/Q2TH8R62
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50535809 (Sclerotiamide) Show SMILES [H][C@@]12C[C@]34CCCN3C(=O)[C@]1(NC4=O)[C@@H](O)[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=Cc31)C2(C)C |r,c:33,THB:13:12:1.2:8.7| Show InChI InChI=1S/C26H29N3O5/c1-22(2)10-8-13-15(34-22)7-6-14-17(13)27-20(32)25(14)18(30)26-16(23(25,3)4)12-24(19(31)28-26)9-5-11-29(24)21(26)33/h6-8,10,16,18,30H,5,9,11-12H2,1-4H3,(H,27,32)(H,28,31)/t16-,18-,24-,25-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.96E+4	n/a	n/a	n/a	n/a
University of Oklahoma COBRE in Structural Biology Curated by ChEMBL					Assay Description Activation of Escherichia coli BLR (DE3) ClpP using Abz-DFAPKMALVPYNO2 as substrate assessed as degradation of substrate peptide preincubated for 15 ...				J Nat Prod 79: 1193-7 (2016) Article DOI: 10.1021/acs.jnatprod.5b01091 BindingDB Entry DOI: 10.7270/Q2TH8R62
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50028480 (CHEMBL3342324) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](COC(=O)[C@]1([H])C[C@@H](C)CN1C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C2=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\C=C\C=C\C |r| Show InChI InChI=1S/C38H50N6O8/c1-6-7-8-9-13-18-32(45)40-28(21-27-15-11-10-12-16-27)34(47)41-29-23-52-38(51)31-20-24(2)22-44(31)35(48)25(3)39-33(46)26(4)42(5)37(50)30-17-14-19-43(30)36(29)49/h6-13,15-16,18,24-26,28-31H,14,17,19-23H2,1-5H3,(H,39,46)(H,40,45)(H,41,47)/b7-6+,9-8+,18-13+/t24-,25+,26+,28+,29+,30+,31+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Activation of Escherichia coli ClpP by ITC method				J Nat Prod 77: 2170-81 (2014) Article DOI: 10.1021/np500158q BindingDB Entry DOI: 10.7270/Q22R3T71
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Escherichia coli (strain K12))	BDBM50028481 (CHEMBL3342325) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@]1([H])CCCN1C(=O)[C@H](COC2=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\C=C\C=C\C |r| Show InChI InChI=1S/C37H48N6O8/c1-5-6-7-8-12-19-31(44)39-27(22-26-15-10-9-11-16-26)33(46)40-28-23-51-37(50)30-18-14-21-43(30)34(47)24(2)38-32(45)25(3)41(4)36(49)29-17-13-20-42(29)35(28)48/h5-12,15-16,19,24-25,27-30H,13-14,17-18,20-23H2,1-4H3,(H,38,45)(H,39,44)(H,40,46)/b6-5+,8-7+,19-12+/t24-,25-,27-,28-,29-,30-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Activation of Escherichia coli ClpP by ITC method				J Nat Prod 77: 2170-81 (2014) Article DOI: 10.1021/np500158q BindingDB Entry DOI: 10.7270/Q22R3T71
					More data for this Ligand-Target Pair