Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50027668   

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
Calmodulin-1 (Human)	BDBM50266275 (CHEMBL456494 | Tajixanthone hydrate) Show SMILES CC(=C)[C@H]1COc2c(C)cc3oc4c(C[C@H](O)C(C)(C)O)ccc(O)c4c(=O)c3c2[C@@H]1O |r| Show InChI InChI=1S/C25H28O7/c1-11(2)14-10-31-23-12(3)8-16-19(20(23)21(14)28)22(29)18-15(26)7-6-13(24(18)32-16)9-17(27)25(4,5)30/h6-8,14,17,21,26-28,30H,1,9-10H2,2-5H3/t14-,17+,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Autónoma de México Curated by ChEMBL					Assay Description Inhibition of recombinant calmodulin (unknown origin) mediated bovine brain PDE1 activation assessed as effect on inorganic phosphate release using v...				Bioorg Med Chem 17: 2167-74 (2009) Article DOI: 10.1016/j.bmc.2008.10.079 BindingDB Entry DOI: 10.7270/Q2V124NN
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM50001888 ((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Autónoma de México Curated by ChEMBL					Assay Description Inhibition of recombinant calmodulin (unknown origin) mediated bovine brain PDE1 activation assessed as effect on inorganic phosphate release using v...				Bioorg Med Chem 17: 2167-74 (2009) Article DOI: 10.1016/j.bmc.2008.10.079 BindingDB Entry DOI: 10.7270/Q2V124NN
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM50266274 (14-methoxytajixanthone | CHEMBL515370) Show SMILES CO[C@H]([C@@H]1OC1(C)C)c1ccc(O)c2c1oc1cc(C)c3OC[C@@H]([C@@H](O)c3c1c2=O)C(C)=C |r| Show InChI InChI=1S/C26H28O7/c1-11(2)14-10-31-22-12(3)9-16-18(19(22)20(14)28)21(29)17-15(27)8-7-13(23(17)32-16)24(30-6)25-26(4,5)33-25/h7-9,14,20,24-25,27-28H,1,10H2,2-6H3/t14-,20-,24+,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.54E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Autónoma de México Curated by ChEMBL					Assay Description Inhibition of recombinant calmodulin (unknown origin) mediated bovine brain PDE1 activation assessed as effect on inorganic phosphate release using v...				Bioorg Med Chem 17: 2167-74 (2009) Article DOI: 10.1016/j.bmc.2008.10.079 BindingDB Entry DOI: 10.7270/Q2V124NN
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM50266274 (14-methoxytajixanthone | CHEMBL515370) Show SMILES CO[C@H]([C@@H]1OC1(C)C)c1ccc(O)c2c1oc1cc(C)c3OC[C@@H]([C@@H](O)c3c1c2=O)C(C)=C |r| Show InChI InChI=1S/C26H28O7/c1-11(2)14-10-31-22-12(3)9-16-18(19(22)20(14)28)21(29)17-15(27)8-7-13(23(17)32-16)24(30-6)25-26(4,5)33-25/h7-9,14,20,24-25,27-28H,1,10H2,2-6H3/t14-,20-,24+,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Autónoma de México Curated by ChEMBL					Assay Description Inhibition of recombinant calmodulin (unknown origin) mediated bovine brain PDE1 activation assessed as effect on inorganic phosphate release by spec...				Bioorg Med Chem 17: 2167-74 (2009) Article DOI: 10.1016/j.bmc.2008.10.079 BindingDB Entry DOI: 10.7270/Q2V124NN
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM50266275 (CHEMBL456494 | Tajixanthone hydrate) Show SMILES CC(=C)[C@H]1COc2c(C)cc3oc4c(C[C@H](O)C(C)(C)O)ccc(O)c4c(=O)c3c2[C@@H]1O |r| Show InChI InChI=1S/C25H28O7/c1-11(2)14-10-31-23-12(3)8-16-19(20(23)21(14)28)22(29)18-15(26)7-6-13(24(18)32-16)9-17(27)25(4,5)30/h6-8,14,17,21,26-28,30H,1,9-10H2,2-5H3/t14-,17+,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Autónoma de México Curated by ChEMBL					Assay Description Inhibition of recombinant calmodulin (unknown origin) mediated bovine brain PDE1 activation assessed as effect on inorganic phosphate release by spec...				Bioorg Med Chem 17: 2167-74 (2009) Article DOI: 10.1016/j.bmc.2008.10.079 BindingDB Entry DOI: 10.7270/Q2V124NN
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM50001888 ((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Autónoma de México Curated by ChEMBL					Assay Description Inhibition of recombinant calmodulin (unknown origin) mediated bovine brain PDE1 activation assessed as effect on inorganic phosphate release by spec...				Bioorg Med Chem 17: 2167-74 (2009) Article DOI: 10.1016/j.bmc.2008.10.079 BindingDB Entry DOI: 10.7270/Q2V124NN
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM50266273 (15-chlorotajixanthone hydrate | CHEMBL458017) Show SMILES CC(=C)[C@H]1COc2c(C)cc3oc4c(C[C@H](Cl)C(C)(C)O)ccc(O)c4c(=O)c3c2[C@@H]1O |r| Show InChI InChI=1S/C25H27ClO6/c1-11(2)14-10-31-23-12(3)8-16-19(20(23)21(14)28)22(29)18-15(27)7-6-13(24(18)32-16)9-17(26)25(4,5)30/h6-8,14,17,21,27-28,30H,1,9-10H2,2-5H3/t14-,17+,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Autónoma de México Curated by ChEMBL					Assay Description Inhibition of recombinant calmodulin (unknown origin) mediated bovine brain PDE1 activation assessed as effect on inorganic phosphate release by spec...				Bioorg Med Chem 17: 2167-74 (2009) Article DOI: 10.1016/j.bmc.2008.10.079 BindingDB Entry DOI: 10.7270/Q2V124NN
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM50242273 (CHEMBL469860 | shamixanthone) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1ccc(-[#8])c2c1oc1cc(-[#6])c3-[#8]-[#6]-[#6@@H](-[#6@@H](-[#8])-c3c1c2=O)-[#6](-[#6])=[#6] |r| Show InChI InChI=1S/C25H26O5/c1-12(2)6-7-15-8-9-17(26)19-23(28)20-18(30-25(15)19)10-14(5)24-21(20)22(27)16(11-29-24)13(3)4/h6,8-10,16,22,26-27H,3,7,11H2,1-2,4-5H3/t16-,22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Autónoma de México Curated by ChEMBL					Assay Description Inhibition of recombinant calmodulin (unknown origin) mediated bovine brain PDE1 activation assessed as effect on inorganic phosphate release by spec...				Bioorg Med Chem 17: 2167-74 (2009) Article DOI: 10.1016/j.bmc.2008.10.079 BindingDB Entry DOI: 10.7270/Q2V124NN
					More data for this Ligand-Target Pair