Compile Data Set for Download or QSAR

Found 166 hits with Last Name = 'chatelain' and Initial = 'e'   

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 4B (Homo sapiens (Human))	BDBM50148238 (CHEMBL3765037) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCOc2ccc(cc2)-n2ccnc2)c1 |r,c:3,9| Show InChI InChI=1S/C35H42N4O4/c1-41-32-19-14-26(34-30-12-6-7-13-31(30)35(40)39(37-34)28-10-4-2-3-5-11-28)24-33(32)43-23-9-8-22-42-29-17-15-27(16-18-29)38-21-20-36-25-38/h6-7,14-21,24-25,28,30-31H,2-5,8-13,22-23H2,1H3/t30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of full length human recombinant PDE4B1 using [3H]-cAMP as substrate by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50148240 (CHEMBL3763271) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCOc2ccc(cc2)C(O)=O)c1 |r,c:3,9| Show InChI InChI=1S/C33H40N2O6/c1-39-29-19-16-24(22-30(29)41-21-9-8-20-40-26-17-14-23(15-18-26)33(37)38)31-27-12-6-7-13-28(27)32(36)35(34-31)25-10-4-2-3-5-11-25/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,37,38)/t27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of full length human recombinant PDE4B1 using [3H]-cAMP as substrate by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50427452 (CHEMBL2326941) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12 |r,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)/t27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of full length human recombinant PDE4B2 using [3H]-cAMP as substrate by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50148195 (CHEMBL3765188) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCOc2ccc(cc2)-c2nnn(C)n2)c1 |r,c:3,9| Show InChI InChI=1S/C34H42N6O4/c1-39-37-33(35-38-39)24-15-18-27(19-16-24)43-21-9-10-22-44-31-23-25(17-20-30(31)42-2)32-28-13-7-8-14-29(28)34(41)40(36-32)26-11-5-3-4-6-12-26/h7-8,15-20,23,26,28-29H,3-6,9-14,21-22H2,1-2H3/t28-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of full length human recombinant PDE4B1 using [3H]-cAMP as substrate by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50427452 (CHEMBL2326941) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12 |r,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)/t27-,28+/m0/s1	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	0.631	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of full length human recombinant PDE4D3 using [3H]-cAMP as substrate by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50148194 (CHEMBL3763456) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OC)c1 |r,c:3,9| Show InChI InChI=1S/C23H30N2O3/c1-27-20-14-13-16(15-21(20)28-2)22-18-11-7-8-12-19(18)23(26)25(24-22)17-9-5-3-4-6-10-17/h7-8,13-15,17-19H,3-6,9-12H2,1-2H3/t18-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of full length human recombinant PDE4B1 using [3H]-cAMP as substrate by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50427452 (CHEMBL2326941) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12 |r,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)/t27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of full length human recombinant PDE4B1 using [3H]-cAMP as substrate by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50148237 (CHEMBL3763233) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCOc2ccc(cc2)-c2nnnn2C)c1 |r,c:3,9| Show InChI InChI=1S/C34H42N6O4/c1-39-33(35-37-38-39)24-15-18-27(19-16-24)43-21-9-10-22-44-31-23-25(17-20-30(31)42-2)32-28-13-7-8-14-29(28)34(41)40(36-32)26-11-5-3-4-6-12-26/h7-8,15-20,23,26,28-29H,3-6,9-14,21-22H2,1-2H3/t28-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of full length human recombinant PDE4B1 using [3H]-cAMP as substrate by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair
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 4B (Homo sapiens (Human))	BDBM50148239 (CHEMBL3764370) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCn2cnc3ncncc23)c1 |r,c:3,9| Show InChI InChI=1S/C31H38N6O3/c1-39-27-15-14-22(18-28(27)40-17-9-8-16-36-21-34-30-26(36)19-32-20-33-30)29-24-12-6-7-13-25(24)31(38)37(35-29)23-10-4-2-3-5-11-23/h6-7,14-15,18-21,23-25H,2-5,8-13,16-17H2,1H3/t24-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of full length human recombinant PDE4B1 using [3H]-cAMP as substrate by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair
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)	BDBM50148195 (CHEMBL3765188) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCOc2ccc(cc2)-c2nnn(C)n2)c1 |r,c:3,9| Show InChI InChI=1S/C34H42N6O4/c1-39-37-33(35-38-39)24-15-18-27(19-16-24)43-21-9-10-22-44-31-23-25(17-20-30(31)42-2)32-28-13-7-8-14-29(28)34(41)40(36-32)26-11-5-3-4-6-12-26/h7-8,15-20,23,26,28-29H,3-6,9-14,21-22H2,1-2H3/t28-,29+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					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)
Phosphodiesterase (Trypanosoma brucei)	BDBM50427452 (CHEMBL2326941) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12 |r,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)/t27-,28+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Mercachem Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphodiesterase (Trypanosoma brucei)	BDBM50427452 (CHEMBL2326941) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12 |r,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)/t27-,28+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Mercachem Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					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
Phosphodiesterase (Trypanosoma brucei)	BDBM50148237 (CHEMBL3763233) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCOc2ccc(cc2)-c2nnnn2C)c1 |r,c:3,9| Show InChI InChI=1S/C34H42N6O4/c1-39-33(35-37-38-39)24-15-18-27(19-16-24)43-21-9-10-22-44-31-23-25(17-20-30(31)42-2)32-28-13-7-8-14-29(28)34(41)40(36-32)26-11-5-3-4-6-12-26/h7-8,15-20,23,26,28-29H,3-6,9-14,21-22H2,1-2H3/t28-,29+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					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)	BDBM50148238 (CHEMBL3765037) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCOc2ccc(cc2)-n2ccnc2)c1 |r,c:3,9| Show InChI InChI=1S/C35H42N4O4/c1-41-32-19-14-26(34-30-12-6-7-13-31(30)35(40)39(37-34)28-10-4-2-3-5-11-28)24-33(32)43-23-9-8-22-42-29-17-15-27(16-18-29)38-21-20-36-25-38/h6-7,14-21,24-25,28,30-31H,2-5,8-13,22-23H2,1H3/t30-,31+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50148239 (CHEMBL3764370) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCn2cnc3ncncc23)c1 |r,c:3,9| Show InChI InChI=1S/C31H38N6O3/c1-39-27-15-14-22(18-28(27)40-17-9-8-16-36-21-34-30-26(36)19-32-20-33-30)29-24-12-6-7-13-25(24)31(38)37(35-29)23-10-4-2-3-5-11-23/h6-7,14-15,18-21,23-25H,2-5,8-13,16-17H2,1H3/t24-,25+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					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 (Trypanosoma brucei)	BDBM50148254 (CHEMBL3765606) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCc2ccc(cc2)N(C)C)c1 |r,c:3,9| Show InChI InChI=1S/C32H41N3O3/c1-34(2)25-17-14-23(15-18-25)20-21-38-30-22-24(16-19-29(30)37-3)31-27-12-8-9-13-28(27)32(36)35(33-31)26-10-6-4-5-7-11-26/h8-9,14-19,22,26-28H,4-7,10-13,20-21H2,1-3H3/t27-,28+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50148247 (CHEMBL3765010) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCCc2ccccc2)c1 |r,c:3,9| Show InChI InChI=1S/C33H42N2O3/c1-37-30-22-21-26(24-31(30)38-23-13-5-8-16-25-14-6-4-7-15-25)32-28-19-11-12-20-29(28)33(36)35(34-32)27-17-9-2-3-10-18-27/h4,6-7,11-12,14-15,21-22,24,27-29H,2-3,5,8-10,13,16-20,23H2,1H3/t28-,29+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50148255 (CHEMBL3765786) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCc2ccc(OC)cc2)c1 |r,c:3,9| Show InChI InChI=1S/C31H38N2O4/c1-35-25-16-13-22(14-17-25)19-20-37-29-21-23(15-18-28(29)36-2)30-26-11-7-8-12-27(26)31(34)33(32-30)24-9-5-3-4-6-10-24/h7-8,13-18,21,24,26-27H,3-6,9-12,19-20H2,1-2H3/t26-,27+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50148250 (CHEMBL3765222) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCc2cccc(OC)c2OC)c1 |r,c:3,9| Show InChI InChI=1S/C31H38N2O5/c1-35-26-18-17-21(19-28(26)38-20-22-11-10-16-27(36-2)30(22)37-3)29-24-14-8-9-15-25(24)31(34)33(32-29)23-12-6-4-5-7-13-23/h8-11,16-19,23-25H,4-7,12-15,20H2,1-3H3/t24-,25+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50148249 (CHEMBL3763352) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCOC)c1 |r,c:3,9| Show InChI InChI=1S/C25H34N2O4/c1-29-15-16-31-23-17-18(13-14-22(23)30-2)24-20-11-7-8-12-21(20)25(28)27(26-24)19-9-5-3-4-6-10-19/h7-8,13-14,17,19-21H,3-6,9-12,15-16H2,1-2H3/t20-,21+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50148252 (CHEMBL3764909) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCc2ccccn2)c1 |r,c:3,9| Show InChI InChI=1S/C28H33N3O3/c1-33-25-16-15-20(18-26(25)34-19-21-10-8-9-17-29-21)27-23-13-6-7-14-24(23)28(32)31(30-27)22-11-4-2-3-5-12-22/h6-10,15-18,22-24H,2-5,11-14,19H2,1H3/t23-,24+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50148248 (CHEMBL3765581) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCO)c1 |r,c:3,9| Show InChI InChI=1S/C24H32N2O4/c1-29-21-13-12-17(16-22(21)30-15-14-27)23-19-10-6-7-11-20(19)24(28)26(25-23)18-8-4-2-3-5-9-18/h6-7,12-13,16,18-20,27H,2-5,8-11,14-15H2,1H3/t19-,20+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50148251 (CHEMBL3765225) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCc2cc(OC)cc(OC)c2)c1 |r,c:3,9| Show InChI InChI=1S/C31H38N2O5/c1-35-24-16-21(17-25(19-24)36-2)20-38-29-18-22(14-15-28(29)37-3)30-26-12-8-9-13-27(26)31(34)33(32-30)23-10-6-4-5-7-11-23/h8-9,14-19,23,26-27H,4-7,10-13,20H2,1-3H3/t26-,27+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair
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)	BDBM50148253 (CHEMBL3765733) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCc2ccncc2)c1 |r,c:3,9| Show InChI InChI=1S/C28H33N3O3/c1-33-25-13-12-21(18-26(25)34-19-20-14-16-29-17-15-20)27-23-10-6-7-11-24(23)28(32)31(30-27)22-8-4-2-3-5-9-22/h6-7,12-18,22-24H,2-5,8-11,19H2,1H3/t23-,24+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					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
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490735 (CHEMBL1863002 | DNDI1449875) Show SMILES Fc1cc(Cl)ccc1C(N1CCN(CC1)C(=O)Nc1ccc(Cl)cc1)c1cncnc1 Show InChI InChI=1S/C22H20Cl2FN5O/c23-16-1-4-18(5-2-16)28-22(31)30-9-7-29(8-10-30)21(15-12-26-14-27-13-15)19-6-3-17(24)11-20(19)25/h1-6,11-14,21H,7-10H2,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50148194 (CHEMBL3763456) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OC)c1 |r,c:3,9| Show InChI InChI=1S/C23H30N2O3/c1-27-20-14-13-16(15-21(20)28-2)22-18-11-7-8-12-19(18)23(26)25(24-22)17-9-5-3-4-6-10-17/h7-8,13-15,17-19H,3-6,9-12H2,1-2H3/t18-,19+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50148240 (CHEMBL3763271) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCOc2ccc(cc2)C(O)=O)c1 |r,c:3,9| Show InChI InChI=1S/C33H40N2O6/c1-39-29-19-16-24(22-30(29)41-21-9-8-20-40-26-17-14-23(15-18-26)33(37)38)31-27-12-6-7-13-28(27)32(36)35(34-31)25-10-4-2-3-5-11-25/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,37,38)/t27-,28+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					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)	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)	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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50427452 (CHEMBL2326941) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12 |r,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)/t27-,28+/m0/s1	PDB MMDB Reactome pathway 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	501	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of full length human recombinant PDE10A using [3H]-cAMP as substrate by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490750 (CHEMBL2334336) Show SMILES Fc1cc(Cl)ccc1C(N1CCN(CC1)S(=O)(=O)c1ccccc1)c1cccnc1 Show InChI InChI=1S/C22H21ClFN3O2S/c23-18-8-9-20(21(24)15-18)22(17-5-4-10-25-16-17)26-11-13-27(14-12-26)30(28,29)19-6-2-1-3-7-19/h1-10,15-16,22H,11-14H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50014757 ((4-Chloro-phenyl)-(2-chloro-phenyl)-pyridin-3-yl-m...) Show SMILES OC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl Show InChI InChI=1S/C18H13Cl2NO/c19-15-9-7-13(8-10-15)18(22,14-4-3-11-21-12-14)16-5-1-2-6-17(16)20/h1-12,22H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes				J Med Chem 55: 4189-204 (2012) Article DOI: 10.1021/jm2015809 BindingDB Entry DOI: 10.7270/Q2TX3J6T
					More data for this Ligand-Target Pair
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)	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)	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)	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
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490748 (CHEMBL1863056 | DNDI1435775) Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1cccnc1 Show InChI InChI=1S/C19H24ClN3O2S/c1-15(2)26(24,25)23-12-10-22(11-13-23)19(17-4-3-9-21-14-17)16-5-7-18(20)8-6-16/h3-9,14-15,19H,10-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					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

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