Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'HPr kinase/phosphorylase'   

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
HPr kinase/phosphorylase (Bacillus subtilis)	BDBM50137122 ((3-Benzyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-...) Show SMILES N=c1n(CC(=O)N\N=C\c2ccc(\C=N\NC(=O)Cn3c4ccccc4n(Cc4ccccc4)c3=N)cc2)c2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C40H36N10O2/c41-39-47(25-31-11-3-1-4-12-31)33-15-7-9-17-35(33)49(39)27-37(51)45-43-23-29-19-21-30(22-20-29)24-44-46-38(52)28-50-36-18-10-8-16-34(36)48(40(50)42)26-32-13-5-2-6-14-32/h1-24,41-42H,25-28H2,(H,45,51)(H,46,52)/b41-39?,42-40?,43-23+,44-24+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	7.0	n/a
ISIS-Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Inhibition of bifunctional enzyme HPr kinase/phosphatase from Bacillus subtilis at pH 7.0 and hill coefficient of 1.4				J Med Chem 46: 5803-11 (2003) Article DOI: 10.1021/jm030917j BindingDB Entry DOI: 10.7270/Q2Z038WD
					More data for this Ligand-Target Pair
HPr kinase/phosphorylase (Bacillus subtilis)	BDBM50137122 ((3-Benzyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-...) Show SMILES N=c1n(CC(=O)N\N=C\c2ccc(\C=N\NC(=O)Cn3c4ccccc4n(Cc4ccccc4)c3=N)cc2)c2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C40H36N10O2/c41-39-47(25-31-11-3-1-4-12-31)33-15-7-9-17-35(33)49(39)27-37(51)45-43-23-29-19-21-30(22-20-29)24-44-46-38(52)28-50-36-18-10-8-16-34(36)48(40(50)42)26-32-13-5-2-6-14-32/h1-24,41-42H,25-28H2,(H,45,51)(H,46,52)/b41-39?,42-40?,43-23+,44-24+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	8.0	n/a
ISIS-Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Inhibition of bifunctional enzyme HPr kinase/phosphatase from Bacillus subtilis at pH 8.0 and hill coefficient of 2.9				J Med Chem 46: 5803-11 (2003) Article DOI: 10.1021/jm030917j BindingDB Entry DOI: 10.7270/Q2Z038WD
					More data for this Ligand-Target Pair
HPr kinase/phosphorylase (Bacillus subtilis)	BDBM50144926 (3-[12-(2-amino-1-benzyl-1H-benzo[d]imidazol-3-ium-...) Show SMILES [NH2+]=c1n(CCCCCCCCCCCCn2c3ccccc3n(Cc3ccccc3)c2=[NH2+])c2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C40H48N6/c41-39-43(35-25-15-17-27-37(35)45(39)31-33-21-11-9-12-22-33)29-19-7-5-3-1-2-4-6-8-20-30-44-36-26-16-18-28-38(36)46(40(44)42)32-34-23-13-10-14-24-34/h9-18,21-28,41-42H,1-8,19-20,29-32H2/p+2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a
Université Louis Pasteur de Strasbourg Curated by ChEMBL					Assay Description Inhibition of histidine containing protein in phosphatase assay				J Med Chem 47: 2264-75 (2004) Article DOI: 10.1021/jm021043o BindingDB Entry DOI: 10.7270/Q2JD4W8K
					More data for this Ligand-Target Pair
HPr kinase/phosphorylase (Bacillus subtilis)	BDBM50144926 (3-[12-(2-amino-1-benzyl-1H-benzo[d]imidazol-3-ium-...) Show SMILES [NH2+]=c1n(CCCCCCCCCCCCn2c3ccccc3n(Cc3ccccc3)c2=[NH2+])c2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C40H48N6/c41-39-43(35-25-15-17-27-37(35)45(39)31-33-21-11-9-12-22-33)29-19-7-5-3-1-2-4-6-8-20-30-44-36-26-16-18-28-38(36)46(40(44)42)32-34-23-13-10-14-24-34/h9-18,21-28,41-42H,1-8,19-20,29-32H2/p+2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
Université Louis Pasteur de Strasbourg Curated by ChEMBL					Assay Description Inhibition of histidine containing protein in kinase assay				J Med Chem 47: 2264-75 (2004) Article DOI: 10.1021/jm021043o BindingDB Entry DOI: 10.7270/Q2JD4W8K
					More data for this Ligand-Target Pair
HPr kinase/phosphorylase (Bacillus subtilis)	BDBM50144927 (3-[5-(2-amino-1-benzyl-1H-benzo[d]imidazol-3-ium-3...) Show SMILES [NH2+]=c1n(CCCCCn2c3ccccc3n(Cc3ccccc3)c2=[NH2+])c2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C33H34N6/c34-32-36(28-18-8-10-20-30(28)38(32)24-26-14-4-1-5-15-26)22-12-3-13-23-37-29-19-9-11-21-31(29)39(33(37)35)25-27-16-6-2-7-17-27/h1-2,4-11,14-21,34-35H,3,12-13,22-25H2/p+2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.30E+4	n/a	n/a	n/a	n/a
Université Louis Pasteur de Strasbourg Curated by ChEMBL					Assay Description Inhibition of histidine containing protein in kinase assay				J Med Chem 47: 2264-75 (2004) Article DOI: 10.1021/jm021043o BindingDB Entry DOI: 10.7270/Q2JD4W8K
					More data for this Ligand-Target Pair
HPr kinase/phosphorylase (Bacillus subtilis)	BDBM50144925 (2-Amino-3-benzyl-1-dodecyl-3H-benzoimidazol-1-ium ...) Show SMILES CCCCCCCCCCCCn1c2ccccc2n(Cc2ccccc2)c1=[NH2+] Show InChI InChI=1S/C26H37N3/c1-2-3-4-5-6-7-8-9-10-16-21-28-24-19-14-15-20-25(24)29(26(28)27)22-23-17-12-11-13-18-23/h11-15,17-20,27H,2-10,16,21-22H2,1H3/p+1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a
Université Louis Pasteur de Strasbourg Curated by ChEMBL					Assay Description Inhibition of histidine containing protein in kinase assay				J Med Chem 47: 2264-75 (2004) Article DOI: 10.1021/jm021043o BindingDB Entry DOI: 10.7270/Q2JD4W8K
					More data for this Ligand-Target Pair
HPr kinase/phosphorylase (Bacillus subtilis)	BDBM50144926 (3-[12-(2-amino-1-benzyl-1H-benzo[d]imidazol-3-ium-...) Show SMILES [NH2+]=c1n(CCCCCCCCCCCCn2c3ccccc3n(Cc3ccccc3)c2=[NH2+])c2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C40H48N6/c41-39-43(35-25-15-17-27-37(35)45(39)31-33-21-11-9-12-22-33)29-19-7-5-3-1-2-4-6-8-20-30-44-36-26-16-18-28-38(36)46(40(44)42)32-34-23-13-10-14-24-34/h9-18,21-28,41-42H,1-8,19-20,29-32H2/p+2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a
Université Louis Pasteur de Strasbourg Curated by ChEMBL					Assay Description Inhibition of histidine containing protein in kinase assay with ADP				J Med Chem 47: 2264-75 (2004) Article DOI: 10.1021/jm021043o BindingDB Entry DOI: 10.7270/Q2JD4W8K
					More data for this Ligand-Target Pair
HPr kinase/phosphorylase (Bacillus subtilis)	BDBM50144924 (3-[8-(2-amino-1-benzyl-1H-benzo[d]imidazol-3-ium-3...) Show SMILES [NH2+]=c1n(CCCCCCCCn2c3ccccc3n(Cc3ccccc3)c2=[NH2+])c2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C36H40N6/c37-35-39(31-21-11-13-23-33(31)41(35)27-29-17-7-5-8-18-29)25-15-3-1-2-4-16-26-40-32-22-12-14-24-34(32)42(36(40)38)28-30-19-9-6-10-20-30/h5-14,17-24,37-38H,1-4,15-16,25-28H2/p+2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
Université Louis Pasteur de Strasbourg Curated by ChEMBL					Assay Description Inhibition of histidine containing protein in kinase assay				J Med Chem 47: 2264-75 (2004) Article DOI: 10.1021/jm021043o BindingDB Entry DOI: 10.7270/Q2JD4W8K
					More data for this Ligand-Target Pair
HPr kinase/phosphorylase (Bacillus subtilis)	BDBM31995 (ADP | Adenosine Diphosphate (ADP) | CHEMBL14830) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.30E+6	n/a	n/a	n/a	n/a
Université Louis Pasteur de Strasbourg Curated by ChEMBL					Assay Description Inhibition of histidine containing protein in kinase assay				J Med Chem 47: 2264-75 (2004) Article DOI: 10.1021/jm021043o BindingDB Entry DOI: 10.7270/Q2JD4W8K
					More data for this Ligand-Target Pair