Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'figueroa' and Initial = 'm'   

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
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM50020375 (CHEMBL3289785) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CSC(=O)[C@H](Cc2ccccc2)NC1=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CN)C(C)C |r| Show InChI InChI=1S/C38H58N10O12S/c1-18(2)11-22-33(55)44-24(12-21-9-7-6-8-10-21)38(60)61-17-27(36(58)46-26(16-50)35(57)45-25(15-49)34(56)42-22)47-31(53)20(5)41-32(54)23(13-28(40)51)43-37(59)30(19(3)4)48-29(52)14-39/h6-10,18-20,22-27,30,49-50H,11-17,39H2,1-5H3,(H2,40,51)(H,41,54)(H,42,56)(H,43,59)(H,44,55)(H,45,57)(H,46,58)(H,47,53)(H,48,52)/t20-,22-,23-,24-,25-,26-,27-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay				J Nat Prod 77: 1351-8 (2014) Article DOI: 10.1021/np5000704 BindingDB Entry DOI: 10.7270/Q21V5GJD
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM14361 ((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...) Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1 Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of human PDE4B2				J Nat Prod 76: 382-7 (2013) Article DOI: 10.1021/np300749w BindingDB Entry DOI: 10.7270/Q2TX3GQQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calmodulin-1 (Human)	BDBM50081950 (6-Hydroxy-2-phenyl-chromen-4-one | 6-Hydroxyflavon...) Show SMILES Oc1ccc2oc(cc(=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C15H10O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9,16H	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Aut£noma del Estado de Morelos Curated by ChEMBL					Assay Description Inhibition of human recombinant calmodulin assessed as inhibition of calmodulin-sensitive cAMP phosphodiesterase activation after 15 mins by spectrop...				Bioorg Med Chem 19: 542-6 (2011) Article DOI: 10.1016/j.bmc.2010.10.063 BindingDB Entry DOI: 10.7270/Q2KH0NM0
					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
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50601437 (CHEMBL5207648) Show SMILES COC(=O)[C@@]12Oc3ccc(c(O)c3C(=O)C1=C(O)C[C@H](C)[C@@H]2O)-c1ccc(O)c2C(=O)C3=C(O)C[C@H](C)[C@@H](O)[C@@]3(Oc12)C(=O)OC |r,c:34,t:17| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.0c01340 BindingDB Entry DOI: 10.7270/Q29G5RVF
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50601435 (CHEMBL5204172) Show SMILES COC(=O)[C@@]12Oc3cccc(Oc4ccc5O[C@]6([C@H](O)[C@@H](C)CC(O)=C6C(=O)c5c4O)C(=O)OC)c3C(=O)C1=C(O)C[C@H](C)[C@@H]2O |r,c:24,t:43| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.0c01340 BindingDB Entry DOI: 10.7270/Q29G5RVF
					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
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM50020376 (CHEBI:81348 | CHEMBL290932) Show SMILES OCc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 Show InChI InChI=1S/C15H10O6/c16-5-6-1-8-12(10(18)2-6)15(21)13-9(14(8)20)3-7(17)4-11(13)19/h1-4,16-19H,5H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay				J Nat Prod 77: 1351-8 (2014) Article DOI: 10.1021/np5000704 BindingDB Entry DOI: 10.7270/Q21V5GJD
					More data for this Ligand-Target Pair
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM50020377 (CHEMBL3289786) Show SMILES C[C@H](O)Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 |r| Show InChI InChI=1S/C17H14O6/c1-7(18)2-8-3-10-14(12(20)4-8)17(23)15-11(16(10)22)5-9(19)6-13(15)21/h3-7,18-21H,2H2,1H3/t7-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay				J Nat Prod 77: 1351-8 (2014) Article DOI: 10.1021/np5000704 BindingDB Entry DOI: 10.7270/Q21V5GJD
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM50346822 (CHEMBL66917) Show SMILES COc1ccc(CCc2cc(O)cc(OC)c2)cc1 Show InChI InChI=1S/C16H18O3/c1-18-15-7-5-12(6-8-15)3-4-13-9-14(17)11-16(10-13)19-2/h5-11,17H,3-4H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min				Eur J Med Chem 46: 2699-708 (2011) Article DOI: 10.1016/j.ejmech.2011.03.057 BindingDB Entry DOI: 10.7270/Q2MW2HGD
					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
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50601436 (CHEMBL5186891) Show SMILES COC(=O)[C@@]12Oc3ccc(c(O)c3C(=O)C1=C(O)C[C@H](C)[C@@H]2O)-c1ccc2O[C@]3([C@H](O)[C@@H](C)CC(O)=C3C(=O)c2c1O)C(=O)OC |r,c:38,t:17| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.0c01340 BindingDB Entry DOI: 10.7270/Q29G5RVF
					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	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min				Eur J Med Chem 46: 2699-708 (2011) Article DOI: 10.1016/j.ejmech.2011.03.057 BindingDB Entry DOI: 10.7270/Q2MW2HGD
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50540270 (CHEMBL4646089) Show SMILES COC1CCC(=O)c2c(O)c(cc(O)c12)-c1cc(O)c2C(CCC(=O)c2c1O)OC Show InChI InChI=1S/C22H22O8/c1-29-15-5-3-11(23)19-17(15)13(25)7-9(21(19)27)10-8-14(26)18-16(30-2)6-4-12(24)20(18)22(10)28/h7-8,15-16,25-28H,3-6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Greensboro Curated by ChEMBL					Assay Description Inhibition of human PTP1B expressed in Escherichia coli BL21 (DE3) cells using PNPP as substate preincubated for 5 mins followed by substrate additon...				J Nat Prod 83: 675-683 (2020) Article DOI: 10.1021/acs.jnatprod.9b01108 BindingDB Entry DOI: 10.7270/Q2DZ0CVR
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	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	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Aut£noma del Estado de Morelos Curated by ChEMBL					Assay Description Inhibition of human recombinant calmodulin assessed as inhibition of calmodulin-sensitive cAMP phosphodiesterase activation after 15 mins by spectrop...				Bioorg Med Chem 19: 542-6 (2011) Article DOI: 10.1016/j.bmc.2010.10.063 BindingDB Entry DOI: 10.7270/Q2KH0NM0
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50601433 (CHEMBL2152644) Show SMILES COc1cc(C)c(Oc2cc(C)cc(O)c2O)c(O)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.0c01340 BindingDB Entry DOI: 10.7270/Q29G5RVF
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50540269 (CHEMBL4647463) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1ccc(-[#8])c2c1oc1c(-[#8])c(-[#6])cc(-[#8])c1c2=O Show InChI InChI=1S/C19H18O5/c1-9(2)4-5-11-6-7-12(20)14-17(23)15-13(21)8-10(3)16(22)19(15)24-18(11)14/h4,6-8,20-22H,5H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Greensboro Curated by ChEMBL					Assay Description Inhibition of human PTP1B expressed in Escherichia coli BL21 (DE3) cells using PNPP as substate preincubated for 5 mins followed by substrate additon...				J Nat Prod 83: 675-683 (2020) Article DOI: 10.1021/acs.jnatprod.9b01108 BindingDB Entry DOI: 10.7270/Q2DZ0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50540272 ((+)-Malbrancheamide | CHEMBL508749) Show SMILES [H][C@@]12C[C@]34CCCN3C[C@@]1(Cc1c([nH]c3cc(Cl)c(Cl)cc13)C2(C)C)NC4=O |r,TLB:6:7:2.1:26.25| Show InChI InChI=1S/C21H23Cl2N3O/c1-19(2)16-9-21-4-3-5-26(21)10-20(16,25-18(21)27)8-12-11-6-13(22)14(23)7-15(11)24-17(12)19/h6-7,16,24H,3-5,8-10H2,1-2H3,(H,25,27)/t16-,20+,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Greensboro Curated by ChEMBL					Assay Description Inhibition of human PTP1B expressed in Escherichia coli BL21 (DE3) cells using PNPP as substate preincubated for 5 mins followed by substrate additon...				J Nat Prod 83: 675-683 (2020) Article DOI: 10.1021/acs.jnatprod.9b01108 BindingDB Entry DOI: 10.7270/Q2DZ0CVR
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM50346811 (CHEMBL1796022) Show SMILES C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min				Eur J Med Chem 46: 2699-708 (2011) Article DOI: 10.1016/j.ejmech.2011.03.057 BindingDB Entry DOI: 10.7270/Q2MW2HGD
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50540271 (CHEMBL4638865) Show SMILES [H][C@]12C[C@]3(c4ccccc4N[C@@]3([H])N1C(=O)[C@@]1([H])C[C@]3(c4ccccc4N[C@@]3([H])N1C2=O)C(C)(C)C=C)C(C)(C)C=C |r| Show InChI InChI=1S/C32H36N4O2/c1-7-29(3,4)31-17-23-25(37)36-24(26(38)35(23)27(31)33-21-15-11-9-13-19(21)31)18-32(30(5,6)8-2)20-14-10-12-16-22(20)34-28(32)36/h7-16,23-24,27-28,33-34H,1-2,17-18H2,3-6H3/t23-,24-,27+,28+,31-,32-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Greensboro Curated by ChEMBL					Assay Description Inhibition of human PTP1B expressed in Escherichia coli BL21 (DE3) cells using PNPP as substate preincubated for 5 mins followed by substrate additon...				J Nat Prod 83: 675-683 (2020) Article DOI: 10.1021/acs.jnatprod.9b01108 BindingDB Entry DOI: 10.7270/Q2DZ0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50601434 (CHEBI:4041 | CYPERIN | Cyperin) Show SMILES COc1cc(C)c(Oc2cc(C)cc(O)c2)c(O)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.0c01340 BindingDB Entry DOI: 10.7270/Q29G5RVF
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50428912 (Betulinan C | CHEMBL2331809) Show SMILES COC1=C(C(=O)C=C(C1=O)c1ccccc1)c1ccccc1 |c:6,t:2| Show InChI InChI=1S/C19H14O3/c1-22-19-17(14-10-6-3-7-11-14)16(20)12-15(18(19)21)13-8-4-2-5-9-13/h2-12H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of human PDE4B2				J Nat Prod 76: 382-7 (2013) Article DOI: 10.1021/np300749w BindingDB Entry DOI: 10.7270/Q2TX3GQQ
					More data for this Ligand-Target Pair
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM11318 (1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...) Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay				J Nat Prod 77: 1351-8 (2014) Article DOI: 10.1021/np5000704 BindingDB Entry DOI: 10.7270/Q21V5GJD
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM50346820 (CHEMBL1796013) Show SMILES CCOc1ccc(CCc2cc(OC)cc(OC)c2)cc1OC Show InChI InChI=1S/C19H24O4/c1-5-23-18-9-8-14(12-19(18)22-4)6-7-15-10-16(20-2)13-17(11-15)21-3/h8-13H,5-7H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min				Eur J Med Chem 46: 2699-708 (2011) Article DOI: 10.1016/j.ejmech.2011.03.057 BindingDB Entry DOI: 10.7270/Q2MW2HGD
					More data for this Ligand-Target Pair
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM50020378 (CHEMBL3289787) Show SMILES CC(=O)Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 Show InChI InChI=1S/C17H12O6/c1-7(18)2-8-3-10-14(12(20)4-8)17(23)15-11(16(10)22)5-9(19)6-13(15)21/h3-6,19-21H,2H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay				J Nat Prod 77: 1351-8 (2014) Article DOI: 10.1021/np5000704 BindingDB Entry DOI: 10.7270/Q21V5GJD
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r| Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1	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	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Aut£noma del Estado de Morelos Curated by ChEMBL					Assay Description Inhibition of human recombinant calmodulin assessed as inhibition of calmodulin-sensitive cAMP phosphodiesterase activation after 15 mins by spectrop...				Bioorg Med Chem 19: 542-6 (2011) Article DOI: 10.1016/j.bmc.2010.10.063 BindingDB Entry DOI: 10.7270/Q2KH0NM0
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM50346810 (CHEMBL268559) Show SMILES COc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C16H14O3/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11,17H,1H3/b11-4+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min				Eur J Med Chem 46: 2699-708 (2011) Article DOI: 10.1016/j.ejmech.2011.03.057 BindingDB Entry DOI: 10.7270/Q2MW2HGD
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM50346806 (CHEMBL1796026) Show SMILES Oc1cccc(CCCc2ccc3OCOc3c2)c1 Show InChI InChI=1S/C16H16O3/c17-14-6-2-5-12(9-14)3-1-4-13-7-8-15-16(10-13)19-11-18-15/h2,5-10,17H,1,3-4,11H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min				Eur J Med Chem 46: 2699-708 (2011) Article DOI: 10.1016/j.ejmech.2011.03.057 BindingDB Entry DOI: 10.7270/Q2MW2HGD
					More data for this Ligand-Target Pair
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM50020379 (CHEMBL3289788) Show SMILES C[C@@H](O)[C@@H](O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 |r| Show InChI InChI=1S/C17H14O7/c1-6(18)15(22)7-2-9-13(11(20)3-7)17(24)14-10(16(9)23)4-8(19)5-12(14)21/h2-6,15,18-22H,1H3/t6-,15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay				J Nat Prod 77: 1351-8 (2014) Article DOI: 10.1021/np5000704 BindingDB Entry DOI: 10.7270/Q21V5GJD
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...) Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Greensboro Curated by ChEMBL					Assay Description Inhibition of human PTP1B expressed in Escherichia coli BL21 (DE3) cells using PNPP as substate preincubated for 5 mins followed by substrate additon...				J Nat Prod 83: 675-683 (2020) Article DOI: 10.1021/acs.jnatprod.9b01108 BindingDB Entry DOI: 10.7270/Q2DZ0CVR
					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
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM50020380 (CHEMBL3289789) Show SMILES CC(=O)C(O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 Show InChI InChI=1S/C17H12O7/c1-6(18)15(22)7-2-9-13(11(20)3-7)17(24)14-10(16(9)23)4-8(19)5-12(14)21/h2-5,15,19-22H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay				J Nat Prod 77: 1351-8 (2014) Article DOI: 10.1021/np5000704 BindingDB Entry DOI: 10.7270/Q21V5GJD
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM50346819 (CHEMBL1796014) Show SMILES COc1cc(O)cc(CCc2ccc(cc2)N(C)C)c1 Show InChI InChI=1S/C17H21NO2/c1-18(2)15-8-6-13(7-9-15)4-5-14-10-16(19)12-17(11-14)20-3/h6-12,19H,4-5H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min				Eur J Med Chem 46: 2699-708 (2011) Article DOI: 10.1016/j.ejmech.2011.03.057 BindingDB Entry DOI: 10.7270/Q2MW2HGD
					More data for this Ligand-Target Pair
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM115127 (4,5,7-trihydroxy-9,10-diketo-anthracene-2-carboxyl...) Show SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 Show InChI InChI=1S/C15H8O7/c16-6-3-8-12(10(18)4-6)14(20)11-7(13(8)19)1-5(15(21)22)2-9(11)17/h1-4,16-18H,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay				J Nat Prod 77: 1351-8 (2014) Article DOI: 10.1021/np5000704 BindingDB Entry DOI: 10.7270/Q21V5GJD
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50428913 (CHEMBL2331810) Show SMILES COc1c(O)c(cc(O)c1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C19H16O3/c1-22-19-17(14-10-6-3-7-11-14)16(20)12-15(18(19)21)13-8-4-2-5-9-13/h2-12,20-21H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of human PDE4B2				J Nat Prod 76: 382-7 (2013) Article DOI: 10.1021/np300749w BindingDB Entry DOI: 10.7270/Q2TX3GQQ
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM50346821 (CHEMBL1796012) Show SMILES COc1cc(O)cc(CCc2ccc3OCOc3c2)c1 Show InChI InChI=1S/C16H16O4/c1-18-14-7-12(6-13(17)9-14)3-2-11-4-5-15-16(8-11)20-10-19-15/h4-9,17H,2-3,10H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min				Eur J Med Chem 46: 2699-708 (2011) Article DOI: 10.1016/j.ejmech.2011.03.057 BindingDB Entry DOI: 10.7270/Q2MW2HGD
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM50346805 (CHEMBL1796027) Show SMILES COc1cc(O)cc(CCCc2ccc(O)c(OC)c2)c1 Show InChI InChI=1S/C17H20O4/c1-20-15-9-13(8-14(18)11-15)5-3-4-12-6-7-16(19)17(10-12)21-2/h6-11,18-19H,3-5H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min				Eur J Med Chem 46: 2699-708 (2011) Article DOI: 10.1016/j.ejmech.2011.03.057 BindingDB Entry DOI: 10.7270/Q2MW2HGD
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM7461 (5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...) Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1 Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Aut£noma del Estado de Morelos Curated by ChEMBL					Assay Description Inhibition of human recombinant calmodulin assessed as inhibition of calmodulin-sensitive cAMP phosphodiesterase activation after 15 mins by spectrop...				Bioorg Med Chem 19: 542-6 (2011) Article DOI: 10.1016/j.bmc.2010.10.063 BindingDB Entry DOI: 10.7270/Q2KH0NM0
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM50346818 (CHEMBL1796015) Show SMILES COc1cc(CCc2ccc(cc2)N(C)C)cc(OC)c1 Show InChI InChI=1S/C18H23NO2/c1-19(2)16-9-7-14(8-10-16)5-6-15-11-17(20-3)13-18(12-15)21-4/h7-13H,5-6H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min				Eur J Med Chem 46: 2699-708 (2011) Article DOI: 10.1016/j.ejmech.2011.03.057 BindingDB Entry DOI: 10.7270/Q2MW2HGD
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM26664 (7-Hydroxy-flavone, 5a | 7-Hydroxyflavone, 11 | 7-h...) Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1 Show InChI InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Aut£noma del Estado de Morelos Curated by ChEMBL					Assay Description Inhibition of human recombinant calmodulin assessed as inhibition of calmodulin-sensitive cAMP phosphodiesterase activation after 15 mins by spectrop...				Bioorg Med Chem 19: 542-6 (2011) Article DOI: 10.1016/j.bmc.2010.10.063 BindingDB Entry DOI: 10.7270/Q2KH0NM0
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM50346809 (CHEMBL1796023) Show SMILES COc1cc(O)cc(c1)C(=O)\C=C\c1ccc(OC)c(O)c1 Show InChI InChI=1S/C17H16O5/c1-21-14-9-12(8-13(18)10-14)15(19)5-3-11-4-6-17(22-2)16(20)7-11/h3-10,18,20H,1-2H3/b5-3+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min				Eur J Med Chem 46: 2699-708 (2011) Article DOI: 10.1016/j.ejmech.2011.03.057 BindingDB Entry DOI: 10.7270/Q2MW2HGD
					More data for this Ligand-Target Pair
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM50312649 (6-chloro-4,5,7-trihydroxy-9,10-dioxo-9,10-dihydroa...) Show SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)c(Cl)c(O)cc3C(=O)c2c1 Show InChI InChI=1S/C15H7ClO7/c16-11-8(18)3-6-10(14(11)21)13(20)9-5(12(6)19)1-4(15(22)23)2-7(9)17/h1-3,17-18,21H,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay				J Nat Prod 77: 1351-8 (2014) Article DOI: 10.1021/np5000704 BindingDB Entry DOI: 10.7270/Q21V5GJD
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50428914 (BETULINAN A) Show SMILES COC1=C(C(=O)C(OC)=C(C1=O)c1ccccc1)c1ccccc1 |c:8,t:2| Show InChI InChI=1S/C20H16O4/c1-23-19-15(13-9-5-3-6-10-13)18(22)20(24-2)16(17(19)21)14-11-7-4-8-12-14/h3-12H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of human PDE4B2				J Nat Prod 76: 382-7 (2013) Article DOI: 10.1021/np300749w BindingDB Entry DOI: 10.7270/Q2TX3GQQ
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM50346815 (CHEMBL1796017) Show SMILES CCOc1ccc(CCc2cccc(O)c2)cc1OC Show InChI InChI=1S/C17H20O3/c1-3-20-16-10-9-14(12-17(16)19-2)8-7-13-5-4-6-15(18)11-13/h4-6,9-12,18H,3,7-8H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min				Eur J Med Chem 46: 2699-708 (2011) Article DOI: 10.1016/j.ejmech.2011.03.057 BindingDB Entry DOI: 10.7270/Q2MW2HGD
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM50346814 (CHEMBL1796018) Show SMILES CCOc1ccc(CCc2cc(O)cc(OC)c2)cc1OC Show InChI InChI=1S/C18H22O4/c1-4-22-17-8-7-13(11-18(17)21-3)5-6-14-9-15(19)12-16(10-14)20-2/h7-12,19H,4-6H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min				Eur J Med Chem 46: 2699-708 (2011) Article DOI: 10.1016/j.ejmech.2011.03.057 BindingDB Entry DOI: 10.7270/Q2MW2HGD
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM50346812 (CHEMBL1796021) Show SMILES COc1cc(Cc2ccc(O)c(OC)c2)cc(OC)c1 Show InChI InChI=1S/C16H18O4/c1-18-13-7-12(8-14(10-13)19-2)6-11-4-5-15(17)16(9-11)20-3/h4-5,7-10,17H,6H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min				Eur J Med Chem 46: 2699-708 (2011) Article DOI: 10.1016/j.ejmech.2011.03.057 BindingDB Entry DOI: 10.7270/Q2MW2HGD
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 61 total )  |  Next  |  Last  >>

Jump to: