Compile Data Set for Download or QSAR

Found 19 hits of ic50 for UniProtKB: Q8KRU5   

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
Phospholipase D (Streptomyces chromofuscus)	BDBM123756 (1-methyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyr...) Show SMILES Cn1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C16H13N5/c1-21-16-13(15(17)18-9-19-16)14(20-21)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H2,17,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	8.0	n/a
Roxbury Community College					Assay Description A NaOH stock solution (50 mM) was standardized with KHP then diluted in Millipore water (10-fold serial dilutions) then used to hold the pH constant ...				Chem Biol Drug Des 87: 714-29 (2016) Article DOI: 10.1111/cbdd.12705 BindingDB Entry DOI: 10.7270/Q2R78D0V
					More data for this Ligand-Target Pair
Phospholipase D (Streptomyces chromofuscus)	BDBM123754 (1-methyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyr...) Show SMILES Cn1nc(-c2cccc3ccccc23)c2c(N)ncnc12 Show InChI InChI=1S/C16H13N5/c1-21-16-13(15(17)18-9-19-16)14(20-21)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H2,17,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	8.0	n/a
Roxbury Community College					Assay Description A NaOH stock solution (50 mM) was standardized with KHP then diluted in Millipore water (10-fold serial dilutions) then used to hold the pH constant ...				Chem Biol Drug Des 87: 714-29 (2016) Article DOI: 10.1111/cbdd.12705 BindingDB Entry DOI: 10.7270/Q2R78D0V
					More data for this Ligand-Target Pair
Phospholipase D (Streptomyces chromofuscus)	BDBM50345704 (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) Show SMILES CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-9-8-12-6-4-5-7-13(12)10-14/h4-11H,1-3H3,(H2,20,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	8.0	n/a
Roxbury Community College					Assay Description A NaOH stock solution (50 mM) was standardized with KHP then diluted in Millipore water (10-fold serial dilutions) then used to hold the pH constant ...				Chem Biol Drug Des 87: 714-29 (2016) Article DOI: 10.1111/cbdd.12705 BindingDB Entry DOI: 10.7270/Q2R78D0V
					More data for this Ligand-Target Pair
Phospholipase D (Streptomyces chromofuscus)	BDBM50229961 (1-(1,1-dimethylethyl)-3-(1-naphthalenyl)-1H-pyrazo...) Show SMILES CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12 Show InChI InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	8.0	n/a
Roxbury Community College					Assay Description A NaOH stock solution (50 mM) was standardized with KHP then diluted in Millipore water (10-fold serial dilutions) then used to hold the pH constant ...				Chem Biol Drug Des 87: 714-29 (2016) Article DOI: 10.1111/cbdd.12705 BindingDB Entry DOI: 10.7270/Q2R78D0V
					More data for this Ligand-Target Pair
Phospholipase D (Streptomyces chromofuscus)	BDBM178081 (3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (17)) Show SMILES Nc1ncnc2[nH]nc(-c3ccccc3)c12 Show InChI InChI=1S/C11H9N5/c12-10-8-9(7-4-2-1-3-5-7)15-16-11(8)14-6-13-10/h1-6H,(H3,12,13,14,15,16)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	8.0	n/a
Roxbury Community College					Assay Description A NaOH stock solution (50 mM) was standardized with KHP then diluted in Millipore water (10-fold serial dilutions) then used to hold the pH constant ...				Chem Biol Drug Des 87: 714-29 (2016) Article DOI: 10.1111/cbdd.12705 BindingDB Entry DOI: 10.7270/Q2R78D0V
					More data for this Ligand-Target Pair
Phospholipase D (Streptomyces chromofuscus)	BDBM178082 (3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-...) Show SMILES Nc1ncnc2[nH]nc(-c3ccc4ccccc4c3)c12 Show InChI InChI=1S/C15H11N5/c16-14-12-13(19-20-15(12)18-8-17-14)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H3,16,17,18,19,20)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	8.0	n/a
Roxbury Community College					Assay Description A NaOH stock solution (50 mM) was standardized with KHP then diluted in Millipore water (10-fold serial dilutions) then used to hold the pH constant ...				Chem Biol Drug Des 87: 714-29 (2016) Article DOI: 10.1111/cbdd.12705 BindingDB Entry DOI: 10.7270/Q2R78D0V
					More data for this Ligand-Target Pair
Phospholipase D (Streptomyces chromofuscus)	BDBM123755 (1-methyl-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-am...) Show SMILES Cn1nc(-c2ccccc2)c2c(N)ncnc12 Show InChI InChI=1S/C12H11N5/c1-17-12-9(11(13)14-7-15-12)10(16-17)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	8.0	n/a
Roxbury Community College					Assay Description A NaOH stock solution (50 mM) was standardized with KHP then diluted in Millipore water (10-fold serial dilutions) then used to hold the pH constant ...				Chem Biol Drug Des 87: 714-29 (2016) Article DOI: 10.1111/cbdd.12705 BindingDB Entry DOI: 10.7270/Q2R78D0V
					More data for this Ligand-Target Pair
Phospholipase D (Streptomyces chromofuscus)	BDBM123745 (1-(4-methoxyphenyl)-3-(naphthalen-1-yl)-1H-pyrazol...) Show SMILES COc1ccc(cc1)-n1nc(-c2cccc3ccccc23)c2c(N)ncnc12 Show InChI InChI=1S/C22H17N5O/c1-28-16-11-9-15(10-12-16)27-22-19(21(23)24-13-25-22)20(26-27)18-8-4-6-14-5-2-3-7-17(14)18/h2-13H,1H3,(H2,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	8.0	n/a
Roxbury Community College					Assay Description A NaOH stock solution (50 mM) was standardized with KHP then diluted in Millipore water (10-fold serial dilutions) then used to hold the pH constant ...				Chem Biol Drug Des 87: 714-29 (2016) Article DOI: 10.1111/cbdd.12705 BindingDB Entry DOI: 10.7270/Q2R78D0V
					More data for this Ligand-Target Pair
Phospholipase D (Streptomyces chromofuscus)	BDBM123746 (1-(4-methoxyphenyl)-3-phenyl-1H-pyrazolo[3,4-d]pyr...) Show SMILES COc1ccc(cc1)-n1nc(-c2ccccc2)c2c(N)ncnc12 Show InChI InChI=1S/C18H15N5O/c1-24-14-9-7-13(8-10-14)23-18-15(17(19)20-11-21-18)16(22-23)12-5-3-2-4-6-12/h2-11H,1H3,(H2,19,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	8.0	n/a
Roxbury Community College					Assay Description A NaOH stock solution (50 mM) was standardized with KHP then diluted in Millipore water (10-fold serial dilutions) then used to hold the pH constant ...				Chem Biol Drug Des 87: 714-29 (2016) Article DOI: 10.1111/cbdd.12705 BindingDB Entry DOI: 10.7270/Q2R78D0V
					More data for this Ligand-Target Pair
Phospholipase D (Streptomyces chromofuscus)	BDBM123757 (1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (...) Show SMILES Cc1nn(C)c2ncnc(N)c12 Show InChI InChI=1S/C7H9N5/c1-4-5-6(8)9-3-10-7(5)12(2)11-4/h3H,1-2H3,(H2,8,9,10)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	8.0	n/a
Roxbury Community College					Assay Description A NaOH stock solution (50 mM) was standardized with KHP then diluted in Millipore water (10-fold serial dilutions) then used to hold the pH constant ...				Chem Biol Drug Des 87: 714-29 (2016) Article DOI: 10.1111/cbdd.12705 BindingDB Entry DOI: 10.7270/Q2R78D0V
					More data for this Ligand-Target Pair
Phospholipase D (Streptomyces chromofuscus)	BDBM123747 (1-(tert-butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidi...) Show SMILES CC(C)(C)n1nc(-c2ccccc2)c2c(N)ncnc12 Show InChI InChI=1S/C15H17N5/c1-15(2,3)20-14-11(13(16)17-9-18-14)12(19-20)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,16,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	8.0	n/a
Roxbury Community College					Assay Description A NaOH stock solution (50 mM) was standardized with KHP then diluted in Millipore water (10-fold serial dilutions) then used to hold the pH constant ...				Chem Biol Drug Des 87: 714-29 (2016) Article DOI: 10.1111/cbdd.12705 BindingDB Entry DOI: 10.7270/Q2R78D0V
					More data for this Ligand-Target Pair
Phospholipase D (Streptomyces chromofuscus)	BDBM123748 (1-(tert-butyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidi...) Show SMILES Cc1nn(c2ncnc(N)c12)C(C)(C)C Show InChI InChI=1S/C10H15N5/c1-6-7-8(11)12-5-13-9(7)15(14-6)10(2,3)4/h5H,1-4H3,(H2,11,12,13)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	8.0	n/a
Roxbury Community College					Assay Description A NaOH stock solution (50 mM) was standardized with KHP then diluted in Millipore water (10-fold serial dilutions) then used to hold the pH constant ...				Chem Biol Drug Des 87: 714-29 (2016) Article DOI: 10.1111/cbdd.12705 BindingDB Entry DOI: 10.7270/Q2R78D0V
					More data for this Ligand-Target Pair
Phospholipase D (Streptomyces chromofuscus)	BDBM178083 (3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (19)) Show SMILES Cc1n[nH]c2ncnc(N)c12 Show InChI InChI=1S/C6H7N5/c1-3-4-5(7)8-2-9-6(4)11-10-3/h2H,1H3,(H3,7,8,9,10,11)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	8.0	n/a
Roxbury Community College					Assay Description A NaOH stock solution (50 mM) was standardized with KHP then diluted in Millipore water (10-fold serial dilutions) then used to hold the pH constant ...				Chem Biol Drug Des 87: 714-29 (2016) Article DOI: 10.1111/cbdd.12705 BindingDB Entry DOI: 10.7270/Q2R78D0V
					More data for this Ligand-Target Pair
Phospholipase D (Streptomyces chromofuscus)	BDBM123752 (3‐(naphthalen‐1‐yl)‐1̴...) Show SMILES Nc1ncnc2n(nc(-c3cccc4ccccc34)c12)-c1ccccc1 Show InChI InChI=1S/C21H15N5/c22-20-18-19(17-12-6-8-14-7-4-5-11-16(14)17)25-26(21(18)24-13-23-20)15-9-2-1-3-10-15/h1-13H,(H2,22,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	875	n/a	n/a	n/a	n/a	8.0	n/a
Roxbury Community College					Assay Description A NaOH stock solution (50 mM) was standardized with KHP then diluted in Millipore water (10-fold serial dilutions) then used to hold the pH constant ...				Chem Biol Drug Des 87: 714-29 (2016) Article DOI: 10.1111/cbdd.12705 BindingDB Entry DOI: 10.7270/Q2R78D0V
					More data for this Ligand-Target Pair
Phospholipase D (Streptomyces chromofuscus)	BDBM123753 (3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-am...) Show SMILES Cc1nn(-c2ccccc2)c2ncnc(N)c12 Show InChI InChI=1S/C12H11N5/c1-8-10-11(13)14-7-15-12(10)17(16-8)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	8.0	n/a
Roxbury Community College					Assay Description A NaOH stock solution (50 mM) was standardized with KHP then diluted in Millipore water (10-fold serial dilutions) then used to hold the pH constant ...				Chem Biol Drug Des 87: 714-29 (2016) Article DOI: 10.1111/cbdd.12705 BindingDB Entry DOI: 10.7270/Q2R78D0V
					More data for this Ligand-Target Pair
Phospholipase D (Streptomyces chromofuscus)	BDBM3003 (1,3-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |...) Show SMILES Nc1ncnc2n(nc(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C17H13N5/c18-16-14-15(12-7-3-1-4-8-12)21-22(17(14)20-11-19-16)13-9-5-2-6-10-13/h1-11H,(H2,18,19,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	8.0	n/a
Roxbury Community College					Assay Description A NaOH stock solution (50 mM) was standardized with KHP then diluted in Millipore water (10-fold serial dilutions) then used to hold the pH constant ...				Chem Biol Drug Des 87: 714-29 (2016) Article DOI: 10.1111/cbdd.12705 BindingDB Entry DOI: 10.7270/Q2R78D0V
					More data for this Ligand-Target Pair
Phospholipase D (Streptomyces chromofuscus)	BDBM123749 (1-(2-ethylphenyl)-3-(naphthalen-1-yl)-1H-pyrazolo[...) Show SMILES CCc1ccccc1-n1nc(-c2cccc3ccccc23)c2c(N)ncnc12 Show InChI InChI=1S/C23H19N5/c1-2-15-8-4-6-13-19(15)28-23-20(22(24)25-14-26-23)21(27-28)18-12-7-10-16-9-3-5-11-17(16)18/h3-14H,2H2,1H3,(H2,24,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	8.0	n/a
Roxbury Community College					Assay Description A NaOH stock solution (50 mM) was standardized with KHP then diluted in Millipore water (10-fold serial dilutions) then used to hold the pH constant ...				Chem Biol Drug Des 87: 714-29 (2016) Article DOI: 10.1111/cbdd.12705 BindingDB Entry DOI: 10.7270/Q2R78D0V
					More data for this Ligand-Target Pair
Phospholipase D (Streptomyces chromofuscus)	BDBM123751 (1-(2-ethylphenyl)-3-(naphthalen-2-yl)-1H-pyrazolo[...) Show SMILES CCc1ccccc1-n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C23H19N5/c1-2-15-7-5-6-10-19(15)28-23-20(22(24)25-14-26-23)21(27-28)18-12-11-16-8-3-4-9-17(16)13-18/h3-14H,2H2,1H3,(H2,24,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.55E+4	n/a	n/a	n/a	n/a	8.0	n/a
Roxbury Community College					Assay Description A NaOH stock solution (50 mM) was standardized with KHP then diluted in Millipore water (10-fold serial dilutions) then used to hold the pH constant ...				Chem Biol Drug Des 87: 714-29 (2016) Article DOI: 10.1111/cbdd.12705 BindingDB Entry DOI: 10.7270/Q2R78D0V
					More data for this Ligand-Target Pair
Phospholipase D (Streptomyces chromofuscus)	BDBM123750 (1-(2-ethylphenyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrim...) Show SMILES CCc1ccccc1-n1nc(-c2ccccc2)c2c(N)ncnc12 Show InChI InChI=1S/C19H17N5/c1-2-13-8-6-7-11-15(13)24-19-16(18(20)21-12-22-19)17(23-24)14-9-4-3-5-10-14/h3-12H,2H2,1H3,(H2,20,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	8.0	n/a
Roxbury Community College					Assay Description A NaOH stock solution (50 mM) was standardized with KHP then diluted in Millipore water (10-fold serial dilutions) then used to hold the pH constant ...				Chem Biol Drug Des 87: 714-29 (2016) Article DOI: 10.1111/cbdd.12705 BindingDB Entry DOI: 10.7270/Q2R78D0V
					More data for this Ligand-Target Pair