Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50040619   

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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50397078 (CHEMBL2171452) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:28| Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of human PDE4D3 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50397078 (CHEMBL2171452) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:28| Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of human PDE4A1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397108 (CHEMBL85005) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C2CC=CCC12 |c:43,t:28| Show InChI InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei TbrPDEB1				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50397078 (CHEMBL2171452) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:28| Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of human PDE4B1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Homo sapiens (Human))	BDBM50397078 (CHEMBL2171452) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:28| Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of human PDE4C1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397078 (CHEMBL2171452) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:28| Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphodiesterase (Trypanosoma brucei)	BDBM50397078 (CHEMBL2171452) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:28| Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei His-tagged catalytic domains of TbrPDEB1 expressed in Escherichia coli BL21 assessed as conversion of cAMP to AMP af...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphodiesterase (Leishmania major)	BDBM50397078 (CHEMBL2171452) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:28| Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proxim...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397079 (CHEMBL2171451) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)C#N)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:24| Show InChI InChI=1S/C30H37N3O4/c1-30(2)28(32-33(29(30)34)24-10-6-4-5-7-11-24)23-14-17-26(35-3)27(20-23)37-19-9-8-18-36-25-15-12-22(21-31)13-16-25/h12-17,20,24H,4-11,18-19H2,1-3H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397082 (CHEMBL2171460) Show SMILES COc1ccc(cc1OCc1cccc2ccccc12)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:23| Show InChI InChI=1S/C30H34N2O3/c1-30(2)28(31-32(29(30)33)24-14-6-4-5-7-15-24)22-17-18-26(34-3)27(19-22)35-20-23-13-10-12-21-11-8-9-16-25(21)23/h8-13,16-19,24H,4-7,14-15,20H2,1-3H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397086 (CHEMBL2171456) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C(C)C)C(=O)C1(C)C |t:28| Show InChI InChI=1S/C26H32N6O4/c1-17(2)32-25(33)26(3,4)23(29-32)19-10-13-21(34-5)22(16-19)36-15-7-6-14-35-20-11-8-18(9-12-20)24-27-30-31-28-24/h8-13,16-17H,6-7,14-15H2,1-5H3,(H,27,28,30,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphodiesterase (Trypanosoma brucei)	BDBM50397106 (CHEMBL2171660) Show SMILES COc1ccc(cc1OC1CCCC1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:16| Show InChI InChI=1S/C24H34N2O3/c1-24(2)22(25-26(23(24)27)18-10-6-4-5-7-11-18)17-14-15-20(28-3)21(16-17)29-19-12-8-9-13-19/h14-16,18-19H,4-13H2,1-3H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphodiesterase (Trypanosoma brucei)	BDBM50397081 (CHEMBL2171461) Show SMILES COc1ccc(cc1OCc1ccccn1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:18| Show InChI InChI=1S/C25H31N3O3/c1-25(2)23(27-28(24(25)29)20-11-6-4-5-7-12-20)18-13-14-21(30-3)22(16-18)31-17-19-10-8-9-15-26-19/h8-10,13-16,20H,4-7,11-12,17H2,1-3H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397102 (CHEMBL2171664) Show SMILES COc1ccc(cc1OCc1ccccc1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:18| Show InChI InChI=1S/C26H32N2O3/c1-26(2)24(27-28(25(26)29)21-13-9-4-5-10-14-21)20-15-16-22(30-3)23(17-20)31-18-19-11-7-6-8-12-19/h6-8,11-12,15-17,21H,4-5,9-10,13-14,18H2,1-3H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397083 (CHEMBL2171459) Show SMILES COc1ccc(CCOc2cc(ccc2OC)C2=NN(C3CCCCCC3)C(=O)C2(C)C)cc1 |t:18| Show InChI InChI=1S/C28H36N2O4/c1-28(2)26(29-30(27(28)31)22-9-7-5-6-8-10-22)21-13-16-24(33-4)25(19-21)34-18-17-20-11-14-23(32-3)15-12-20/h11-16,19,22H,5-10,17-18H2,1-4H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphodiesterase (Trypanosoma brucei)	BDBM50397080 (CHEMBL2171462) Show SMILES COc1ccc(cc1OCc1cc(C)on1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:18| Show InChI InChI=1S/C24H31N3O4/c1-16-13-18(26-31-16)15-30-21-14-17(11-12-20(21)29-4)22-24(2,3)23(28)27(25-22)19-9-7-5-6-8-10-19/h11-14,19H,5-10,15H2,1-4H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397084 (CHEMBL2171458) Show SMILES COc1ccc(COc2cc(ccc2OC)C2=NN(C3CCCCCC3)C(=O)C2(C)C)cc1 |t:17| Show InChI InChI=1S/C27H34N2O4/c1-27(2)25(28-29(26(27)30)21-9-7-5-6-8-10-21)20-13-16-23(32-4)24(17-20)33-18-19-11-14-22(31-3)15-12-19/h11-17,21H,5-10,18H2,1-4H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397090 (CHEMBL2171658) Show SMILES COc1ccc(cc1OCc1cccc2ccccc12)C1=NN(C(C)C)C(=O)C1(C)C |t:23| Show InChI InChI=1S/C26H28N2O3/c1-17(2)28-25(29)26(3,4)24(27-28)19-13-14-22(30-5)23(15-19)31-16-20-11-8-10-18-9-6-7-12-21(18)20/h6-15,17H,16H2,1-5H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397091 (CHEMBL2171657) Show SMILES COc1ccc(CCOc2cc(ccc2OC)C2=NN(C(C)C)C(=O)C2(C)C)cc1 |t:18| Show InChI InChI=1S/C24H30N2O4/c1-16(2)26-23(27)24(3,4)22(25-26)18-9-12-20(29-6)21(15-18)30-14-13-17-7-10-19(28-5)11-8-17/h7-12,15-16H,13-14H2,1-6H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397085 (CHEMBL2171457) Show SMILES COc1ccc(cc1OCc1ccc(cc1)C#N)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:20| Show InChI InChI=1S/C27H31N3O3/c1-27(2)25(29-30(26(27)31)22-8-6-4-5-7-9-22)21-14-15-23(32-3)24(16-21)33-18-20-12-10-19(17-28)11-13-20/h10-16,22H,4-9,18H2,1-3H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397103 (CHEMBL2171663) Show SMILES COc1ccc(cc1OCc1ccccc1)C1=NN(C(C)C)C(=O)C1(C)C |t:18| Show InChI InChI=1S/C22H26N2O3/c1-15(2)24-21(25)22(3,4)20(23-24)17-11-12-18(26-5)19(13-17)27-14-16-9-7-6-8-10-16/h6-13,15H,14H2,1-5H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397092 (CHEMBL2171656) Show SMILES COc1ccc(COc2cc(ccc2OC)C2=NN(C(C)C)C(=O)C2(C)C)cc1 |t:17| Show InChI InChI=1S/C23H28N2O4/c1-15(2)25-22(26)23(3,4)21(24-25)17-9-12-19(28-6)20(13-17)29-14-16-7-10-18(27-5)11-8-16/h7-13,15H,14H2,1-6H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397097 (CHEMBL2171651) Show SMILES COc1ccc(cc1Cl)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:10| Show InChI InChI=1S/C19H25ClN2O2/c1-19(2)17(13-10-11-16(24-3)15(20)12-13)21-22(18(19)23)14-8-6-4-5-7-9-14/h10-12,14H,4-9H2,1-3H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397093 (CHEMBL2171655) Show SMILES COc1ccc(cc1OCc1ccc(cc1)C#N)C1=NN(C(C)C)C(=O)C1(C)C |t:20| Show InChI InChI=1S/C23H25N3O3/c1-15(2)26-22(27)23(3,4)21(25-26)18-10-11-19(28-5)20(12-18)29-14-17-8-6-16(13-24)7-9-17/h6-12,15H,14H2,1-5H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397094 (CHEMBL2171654) Show SMILES COc1ccc(cc1Br)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:10| Show InChI InChI=1S/C19H25BrN2O2/c1-19(2)17(13-10-11-16(24-3)15(20)12-13)21-22(18(19)23)14-8-6-4-5-7-9-14/h10-12,14H,4-9H2,1-3H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397089 (CHEMBL2171453) Show SMILES COc1ccc(cc1OCc1ccccn1)C1=NN(C(C)C)C(=O)C1(C)C |t:18| Show InChI InChI=1S/C21H25N3O3/c1-14(2)24-20(25)21(3,4)19(23-24)15-9-10-17(26-5)18(12-15)27-13-16-8-6-7-11-22-16/h6-12,14H,13H2,1-5H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397088 (CHEMBL2171454) Show SMILES COc1ccc(cc1OCc1cc(C)on1)C1=NN(C(C)C)C(=O)C1(C)C |t:18| Show InChI InChI=1S/C20H25N3O4/c1-12(2)23-19(24)20(4,5)18(21-23)14-7-8-16(25-6)17(10-14)26-11-15-9-13(3)27-22-15/h7-10,12H,11H2,1-6H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397087 (CHEMBL2171455) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)C#N)C1=NN(C(C)C)C(=O)C1(C)C |t:24| Show InChI InChI=1S/C26H31N3O4/c1-18(2)29-25(30)26(3,4)24(28-29)20-10-13-22(31-5)23(16-20)33-15-7-6-14-32-21-11-8-19(17-27)9-12-21/h8-13,16,18H,6-7,14-15H2,1-5H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397105 (CHEMBL2171661) Show SMILES COc1ccc(cc1OCc1ccccc1)C1=NNC(=O)C1(C)C |t:18| Show InChI InChI=1S/C19H20N2O3/c1-19(2)17(20-21-18(19)22)14-9-10-15(23-3)16(11-14)24-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,21,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397104 (CHEMBL2171662) Show SMILES COc1ccc(cc1OCc1ccccc1)C1=NN(C)C(=O)C1(C)C |t:18| Show InChI InChI=1S/C20H22N2O3/c1-20(2)18(21-22(3)19(20)23)15-10-11-16(24-4)17(12-15)25-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397101 (CHEMBL2171463) Show SMILES COc1ccc(cc1O)C1=NN(C(C)C)C(=O)C1(C)C |t:10| Show InChI InChI=1S/C15H20N2O3/c1-9(2)17-14(19)15(3,4)13(16-17)10-6-7-12(20-5)11(18)8-10/h6-9,18H,1-5H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397100 (CHEMBL2171464) Show SMILES COc1ccc(cc1O)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:10| Show InChI InChI=1S/C19H26N2O3/c1-19(2)17(13-10-11-16(24-3)15(22)12-13)20-21(18(19)23)14-8-6-4-5-7-9-14/h10-12,14,22H,4-9H2,1-3H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397098 (CHEMBL2171650) Show SMILES COc1ccc(cc1Cl)C1=NN(C(C)C)C(=O)C1(C)C |t:10| Show InChI InChI=1S/C15H19ClN2O2/c1-9(2)18-14(19)15(3,4)13(17-18)10-6-7-12(20-5)11(16)8-10/h6-9H,1-5H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397096 (CHEMBL2171652) Show SMILES COc1ccc(cc1Br)C1=NNC(=O)C1(C)C |t:10| Show InChI InChI=1S/C12H13BrN2O2/c1-12(2)10(14-15-11(12)16)7-4-5-9(17-3)8(13)6-7/h4-6H,1-3H3,(H,15,16)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397095 (CHEMBL2171653) Show SMILES COc1ccc(cc1Br)C1=NN(C(C)C)C(=O)C1(C)C |t:10| Show InChI InChI=1S/C15H19BrN2O2/c1-9(2)18-14(19)15(3,4)13(17-18)10-6-7-12(20-5)11(16)8-10/h6-9H,1-5H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397099 (CHEMBL2171465) Show SMILES COc1ccc(cc1Cl)C1=NNC(=O)C1(C)C |t:10| Show InChI InChI=1S/C12H13ClN2O2/c1-12(2)10(14-15-11(12)16)7-4-5-9(17-3)8(13)6-7/h4-6H,1-3H3,(H,15,16)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50397107 (CHEMBL2171659) Show SMILES COc1ccc(cc1OC1CCCC1)C1=NNC(=O)C1(C)C |t:16| Show InChI InChI=1S/C17H22N2O3/c1-17(2)15(18-19-16(17)20)11-8-9-13(21-3)14(10-11)22-12-6-4-5-7-12/h8-10,12H,4-7H2,1-3H3,(H,19,20)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	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/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
					More data for this Ligand-Target Pair