Compile Data Set for Download or QSAR

Found 112 hits with Last Name = 'peeters' and Initial = 'd'   

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 4A/4B/4C/4D (RAT-Rattus norvegicus)	BDBM50110039 (1-[2-(3-Cyclopropylmethoxy-4-methoxy-phenyl)-propy...) Show SMILES COc1ccc(cc1OCC1CC1)C(C)Cn1cc[nH]c1=O Show InChI InChI=1S/C17H22N2O3/c1-12(10-19-8-7-18-17(19)20)14-5-6-15(21-2)16(9-14)22-11-13-3-4-13/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Displacement of [3H]rolipram from rat forebrain membrane				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (RAT-Rattus norvegicus)	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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Inhibition of [3H]rolipram binding to Phosphodiesterase 4 of rat forebrain membrane				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (RAT-Rattus norvegicus)	BDBM14775 (3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...) Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Inhibition of [3H]rolipram binding to Phosphodiesterase 4 of rat forebrain membrane				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (RAT-Rattus norvegicus)	BDBM50451480 (CHEMBL2093042) Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)[C@@H](C)Cn1cc[nH]\c1=N/C#N |r| Show InChI InChI=1S/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Displacement of [3H]rolipram from rat forebrain membrane				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (RAT-Rattus norvegicus)	BDBM50110030 (1-{2-[3-(Indan-2-yloxy)-4-methoxy-phenyl]-propyl}-...) Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)C(C)Cn1ccnc1NC#N Show InChI InChI=1S/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Displacement of [3H]rolipram from rat forebrain membrane				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (RAT-Rattus norvegicus)	BDBM50366802 (CHEMBL1788264) Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)[C@H](C)Cn1ccnc1NC#N |r| Show InChI InChI=1S/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Displacement of [3H]rolipram from rat forebrain membrane				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM14775 (3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...) Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tripeptidyl-peptidase 2 (Rattus norvegicus)	BDBM50121279 (2-Amino-1-[2-(5-ethyl-1H-imidazol-2-yl)-2,3-dihydr...) Show SMILES CCC[C@H](N)C(=O)N1[C@@H](Cc2ccccc12)c1ncc(CC)[nH]1 Show InChI InChI=1S/C18H24N4O/c1-3-7-14(19)18(23)22-15-9-6-5-8-12(15)10-16(22)17-20-11-13(4-2)21-17/h5-6,8-9,11,14,16H,3-4,7,10,19H2,1-2H3,(H,20,21)/t14-,16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibitory activity of the compound against tripeptidyl peptidase II purified from rat liver				J Med Chem 45: 5303-10 (2002) BindingDB Entry DOI: 10.7270/Q2736Q7X
					More data for this Ligand-Target Pair
Tripeptidyl-peptidase 2 (Rattus norvegicus)	BDBM50121284 (2-Amino-1-[2-(5-methyl-1H-imidazol-2-yl)-2,3-dihyd...) Show SMILES CCC[C@H](N)C(=O)N1[C@@H](Cc2ccccc12)c1ncc(C)[nH]1 Show InChI InChI=1S/C17H22N4O/c1-3-6-13(18)17(22)21-14-8-5-4-7-12(14)9-15(21)16-19-10-11(2)20-16/h4-5,7-8,10,13,15H,3,6,9,18H2,1-2H3,(H,19,20)/t13-,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibitory activity of the compound against tripeptidyl peptidase II purified from rat liver				J Med Chem 45: 5303-10 (2002) BindingDB Entry DOI: 10.7270/Q2736Q7X
					More data for this Ligand-Target Pair
Tripeptidyl-peptidase 2 (Rattus norvegicus)	BDBM50121282 ((S)-1-((S)-2-aminobutanoyl)-N-butylindoline-2-carb...) Show SMILES CCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CC Show InChI InChI=1S/C17H25N3O2/c1-3-5-10-19-16(21)15-11-12-8-6-7-9-14(12)20(15)17(22)13(18)4-2/h6-9,13,15H,3-5,10-11,18H2,1-2H3,(H,19,21)/t13-,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibitory activity of the compound against tripeptidyl peptidase II purified from rat liver				J Med Chem 45: 5303-10 (2002) BindingDB Entry DOI: 10.7270/Q2736Q7X
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50219313 (CHEMBL157812) Show SMILES CC(Cn1ccnc1O)c1ccc(OC(F)F)c(OC2CCCC2)c1 Show InChI InChI=1S/C18H22F2N2O3/c1-12(11-22-9-8-21-18(22)23)13-6-7-15(25-17(19)20)16(10-13)24-14-4-2-3-5-14/h6-10,12,14,17H,2-5,11H2,1H3,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50110030 (1-{2-[3-(Indan-2-yloxy)-4-methoxy-phenyl]-propyl}-...) Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)C(C)Cn1ccnc1NC#N Show InChI InChI=1S/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50451480 (CHEMBL2093042) Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)[C@@H](C)Cn1cc[nH]\c1=N/C#N |r| Show InChI InChI=1S/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50273870 (CHEMBL4126247) Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3cnccc3c2)C1 |r,c:18| Show InChI InChI=1S/C29H28N4O2/c34-27(22-5-6-22)32-14-10-19(17-32)18-33-26(31-29(11-12-29)28(33)35)21-3-1-20(2-4-21)23-7-8-25-16-30-13-9-24(25)15-23/h1-4,7-9,13,15-16,19,22H,5-6,10-12,14,17-18H2/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...				Bioorg Med Chem Lett 28: 2159-2164 (2018) Article DOI: 10.1016/j.bmcl.2018.05.014 BindingDB Entry DOI: 10.7270/Q2FB55FW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50273805 (CHEMBL4127623) Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3cccnc3c2)C1 |r,c:18| Show InChI InChI=1S/C29H28N4O2/c34-27(23-8-9-23)32-15-11-19(17-32)18-33-26(31-29(12-13-29)28(33)35)22-6-3-20(4-7-22)24-10-5-21-2-1-14-30-25(21)16-24/h1-7,10,14,16,19,23H,8-9,11-13,15,17-18H2/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...				Bioorg Med Chem Lett 28: 2159-2164 (2018) Article DOI: 10.1016/j.bmcl.2018.05.014 BindingDB Entry DOI: 10.7270/Q2FB55FW
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50110052 (1-{2-[3-(Bicyclo[2.2.1]hept-2-yloxy)-4-methoxy-phe...) Show SMILES COc1ccc(cc1OC1CC2CCC1C2)C(C)Cn1cc[nH]c1=O |TLB:8:9:15:13.12| Show InChI InChI=1S/C20H26N2O3/c1-13(12-22-8-7-21-20(22)23)15-5-6-17(24-2)19(11-15)25-18-10-14-3-4-16(18)9-14/h5-8,11,13-14,16,18H,3-4,9-10,12H2,1-2H3,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50110046 (1-[2-(3-Cyclopropylmethoxy-4-difluoromethoxy-pheny...) Show SMILES CC(Cn1ccnc1NC#N)c1ccc(OC(F)F)c(OCC2CC2)c1 Show InChI InChI=1S/C18H20F2N4O2/c1-12(9-24-7-6-22-18(24)23-11-21)14-4-5-15(26-17(19)20)16(8-14)25-10-13-2-3-13/h4-8,12-13,17H,2-3,9-10H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50273886 (CHEMBL4129012) Show SMILES Cn1ncc2cc(ccc12)-c1ccc(C2=NC3(CC3)C(=O)N2C[C@@H]2CCN(C2)C(=O)C2CC2)c(F)c1 |r,t:16| Show InChI InChI=1S/C28H28FN5O2/c1-32-24-7-5-19(12-21(24)14-30-32)20-4-6-22(23(29)13-20)25-31-28(9-10-28)27(36)34(25)16-17-8-11-33(15-17)26(35)18-2-3-18/h4-7,12-14,17-18H,2-3,8-11,15-16H2,1H3/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...				Bioorg Med Chem Lett 28: 2159-2164 (2018) Article DOI: 10.1016/j.bmcl.2018.05.014 BindingDB Entry DOI: 10.7270/Q2FB55FW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50273809 (CHEMBL4127804) Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc(cc2)-c2ccncc2)C1 |r,c:18| Show InChI InChI=1S/C31H30N4O2/c36-29(27-9-10-27)34-18-13-21(19-34)20-35-28(33-31(14-15-31)30(35)37)26-7-5-23(6-8-26)22-1-3-24(4-2-22)25-11-16-32-17-12-25/h1-8,11-12,16-17,21,27H,9-10,13-15,18-20H2/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...				Bioorg Med Chem Lett 28: 2159-2164 (2018) Article DOI: 10.1016/j.bmcl.2018.05.014 BindingDB Entry DOI: 10.7270/Q2FB55FW
					More data for this Ligand-Target Pair
Tripeptidyl-peptidase 2 (Rattus norvegicus)	BDBM50121280 (2-Amino-1-[2-(5-methyl-1H-imidazol-2-yl)-2,3-dihyd...) Show SMILES CC[C@H](N)C(=O)N1[C@@H](Cc2ccccc12)c1ncc(C)[nH]1 Show InChI InChI=1S/C16H20N4O/c1-3-12(17)16(21)20-13-7-5-4-6-11(13)8-14(20)15-18-9-10(2)19-15/h4-7,9,12,14H,3,8,17H2,1-2H3,(H,18,19)/t12-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibitory activity of the compound against tripeptidyl peptidase II purified from rat liver				J Med Chem 45: 5303-10 (2002) BindingDB Entry DOI: 10.7270/Q2736Q7X
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50110038 (1-{2-Fluoro-2-[3-(indan-2-yloxy)-4-methoxy-phenyl]...) Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)C(F)Cn1cc[nH]c1=O Show InChI InChI=1S/C21H21FN2O3/c1-26-19-7-6-16(18(22)13-24-9-8-23-21(24)25)12-20(19)27-17-10-14-4-2-3-5-15(14)11-17/h2-9,12,17-18H,10-11,13H2,1H3,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50110040 (1-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-propyl]-1...) Show SMILES COc1ccc(cc1OC1CCCC1)C(C)Cn1cc[nH]c1=O Show InChI InChI=1S/C18H24N2O3/c1-13(12-20-10-9-19-18(20)21)14-7-8-16(22-2)17(11-14)23-15-5-3-4-6-15/h7-11,13,15H,3-6,12H2,1-2H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50273869 (CHEMBL4127964) Show SMILES Fc1ccc2cc(ccc2c1)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:20| Show InChI InChI=1S/C30H28FN3O2/c31-26-10-9-24-15-23(7-8-25(24)16-26)20-1-3-21(4-2-20)27-32-30(12-13-30)29(36)34(27)18-19-11-14-33(17-19)28(35)22-5-6-22/h1-4,7-10,15-16,19,22H,5-6,11-14,17-18H2/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...				Bioorg Med Chem Lett 28: 2159-2164 (2018) Article DOI: 10.1016/j.bmcl.2018.05.014 BindingDB Entry DOI: 10.7270/Q2FB55FW
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50110034 (1-{2-[4-Difluoromethoxy-3-(5-phenyl-pentyloxy)-phe...) Show SMILES CC(Cn1ccnc1NC#N)c1ccc(OC(F)F)c(OCCCCCc2ccccc2)c1 Show InChI InChI=1S/C25H28F2N4O2/c1-19(17-31-14-13-29-25(31)30-18-28)21-11-12-22(33-24(26)27)23(16-21)32-15-7-3-6-10-20-8-4-2-5-9-20/h2,4-5,8-9,11-14,16,19,24H,3,6-7,10,15,17H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50273831 (CHEMBL4128143) Show SMILES CC1(CC1)C(=O)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3occc3c2)C1 |r,c:19| Show InChI InChI=1S/C29H29N3O3/c1-28(10-11-28)26(33)31-14-8-19(17-31)18-32-25(30-29(12-13-29)27(32)34)21-4-2-20(3-5-21)22-6-7-24-23(16-22)9-15-35-24/h2-7,9,15-16,19H,8,10-14,17-18H2,1H3/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...				Bioorg Med Chem Lett 28: 2159-2164 (2018) Article DOI: 10.1016/j.bmcl.2018.05.014 BindingDB Entry DOI: 10.7270/Q2FB55FW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50273812 (CHEMBL4125752) Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:21| Show InChI InChI=1S/C30H31N5O2/c1-33-19-26(16-31-33)23-4-2-21(3-5-23)22-6-8-24(9-7-22)27-32-30(13-14-30)29(37)35(27)18-20-12-15-34(17-20)28(36)25-10-11-25/h2-9,16,19-20,25H,10-15,17-18H2,1H3/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...				Bioorg Med Chem Lett 28: 2159-2164 (2018) Article DOI: 10.1016/j.bmcl.2018.05.014 BindingDB Entry DOI: 10.7270/Q2FB55FW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50273900 (CHEMBL4128261) Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:19| Show InChI InChI=1S/C28H29N5O2/c1-31-24-9-8-22(14-23(24)15-29-31)19-2-4-20(5-3-19)25-30-28(11-12-28)27(35)33(25)17-18-10-13-32(16-18)26(34)21-6-7-21/h2-5,8-9,14-15,18,21H,6-7,10-13,16-17H2,1H3/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...				Bioorg Med Chem Lett 28: 2159-2164 (2018) Article DOI: 10.1016/j.bmcl.2018.05.014 BindingDB Entry DOI: 10.7270/Q2FB55FW
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50110037 (1-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-propyl]-1...) Show SMILES COc1ccc(cc1OC1CCCC1)C(C)Cn1ccnc1NC#N Show InChI InChI=1S/C19H24N4O2/c1-14(12-23-10-9-21-19(23)22-13-20)15-7-8-17(24-2)18(11-15)25-16-5-3-4-6-16/h7-11,14,16H,3-6,12H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50273872 (CHEMBL4129575) Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3[nH]ncc3c2)C1 |r,c:18| Show InChI InChI=1S/C27H27N5O2/c33-25(20-5-6-20)31-12-9-17(15-31)16-32-24(29-27(10-11-27)26(32)34)19-3-1-18(2-4-19)21-7-8-23-22(13-21)14-28-30-23/h1-4,7-8,13-14,17,20H,5-6,9-12,15-16H2,(H,28,30)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...				Bioorg Med Chem Lett 28: 2159-2164 (2018) Article DOI: 10.1016/j.bmcl.2018.05.014 BindingDB Entry DOI: 10.7270/Q2FB55FW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50273901 (CHEMBL4129431) Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2cccc3[nH]ncc23)C1 |r,c:18| Show InChI InChI=1S/C27H27N5O2/c33-25(20-8-9-20)31-13-10-17(15-31)16-32-24(29-27(11-12-27)26(32)34)19-6-4-18(5-7-19)21-2-1-3-23-22(21)14-28-30-23/h1-7,14,17,20H,8-13,15-16H2,(H,28,30)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...				Bioorg Med Chem Lett 28: 2159-2164 (2018) Article DOI: 10.1016/j.bmcl.2018.05.014 BindingDB Entry DOI: 10.7270/Q2FB55FW
					More data for this Ligand-Target Pair
Tripeptidyl-peptidase 2 (Rattus norvegicus)	BDBM50121283 (2-Amino-1-[2-(1H-imidazol-2-yl)-2,3-dihydro-indol-...) Show SMILES CCC[C@H](N)C(=O)N1[C@@H](Cc2ccccc12)c1ncc[nH]1 Show InChI InChI=1S/C16H20N4O/c1-2-5-12(17)16(21)20-13-7-4-3-6-11(13)10-14(20)15-18-8-9-19-15/h3-4,6-9,12,14H,2,5,10,17H2,1H3,(H,18,19)/t12-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibitory activity of the compound against tripeptidyl peptidase II purified from rat liver				J Med Chem 45: 5303-10 (2002) BindingDB Entry DOI: 10.7270/Q2736Q7X
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50273843 (CHEMBL4126768) Show SMILES OC1(CC1)C(=O)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3occc3c2)C1 |r,c:19| Show InChI InChI=1S/C28H27N3O4/c32-25-27(9-10-27)29-24(31(25)17-18-7-13-30(16-18)26(33)28(34)11-12-28)20-3-1-19(2-4-20)21-5-6-23-22(15-21)8-14-35-23/h1-6,8,14-15,18,34H,7,9-13,16-17H2/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...				Bioorg Med Chem Lett 28: 2159-2164 (2018) Article DOI: 10.1016/j.bmcl.2018.05.014 BindingDB Entry DOI: 10.7270/Q2FB55FW
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50110051 (1-{2-[4-Methoxy-3-(5-phenyl-pentyloxy)-phenyl]-pro...) Show SMILES COc1ccc(cc1OCCCCCc1ccccc1)C(C)Cn1ccnc1NC#N Show InChI InChI=1S/C25H30N4O2/c1-20(18-29-15-14-27-25(29)28-19-26)22-12-13-23(30-2)24(17-22)31-16-8-4-7-11-21-9-5-3-6-10-21/h3,5-6,9-10,12-15,17,20H,4,7-8,11,16,18H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50110047 (1-[1-(3-Cyclopentyloxy-4-difluoromethoxy-phenyl)-c...) Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C1(Cn2cc[nH]c2=O)CC1 Show InChI InChI=1S/C19H22F2N2O3/c20-17(21)26-15-6-5-13(11-16(15)25-14-3-1-2-4-14)19(7-8-19)12-23-10-9-22-18(23)24/h5-6,9-11,14,17H,1-4,7-8,12H2,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50273846 (CHEMBL4126984) Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2c[nH]c3ccccc23)C1 |r,c:18| Show InChI InChI=1S/C28H28N4O2/c33-26(21-9-10-21)31-14-11-18(16-31)17-32-25(30-28(12-13-28)27(32)34)20-7-5-19(6-8-20)23-15-29-24-4-2-1-3-22(23)24/h1-8,15,18,21,29H,9-14,16-17H2/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...				Bioorg Med Chem Lett 28: 2159-2164 (2018) Article DOI: 10.1016/j.bmcl.2018.05.014 BindingDB Entry DOI: 10.7270/Q2FB55FW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50273871 (CHEMBL4126126) Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3scnc3c2)C1 |r,c:18| Show InChI InChI=1S/C27H26N4O2S/c32-25(20-5-6-20)30-12-9-17(14-30)15-31-24(29-27(10-11-27)26(31)33)19-3-1-18(2-4-19)21-7-8-23-22(13-21)28-16-34-23/h1-4,7-8,13,16-17,20H,5-6,9-12,14-15H2/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...				Bioorg Med Chem Lett 28: 2159-2164 (2018) Article DOI: 10.1016/j.bmcl.2018.05.014 BindingDB Entry DOI: 10.7270/Q2FB55FW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50273797 (CHEMBL4126304) Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3occc3c2)C1 |r,c:18| Show InChI InChI=1S/C28H27N3O3/c32-26(21-5-6-21)30-13-9-18(16-30)17-31-25(29-28(11-12-28)27(31)33)20-3-1-19(2-4-20)22-7-8-24-23(15-22)10-14-34-24/h1-4,7-8,10,14-15,18,21H,5-6,9,11-13,16-17H2/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...				Bioorg Med Chem Lett 28: 2159-2164 (2018) Article DOI: 10.1016/j.bmcl.2018.05.014 BindingDB Entry DOI: 10.7270/Q2FB55FW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50273798 (CHEMBL4129046) Show SMILES Clc1cccc(c1)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:15| Show InChI InChI=1S/C26H26ClN3O2/c27-22-3-1-2-21(14-22)18-4-6-19(7-5-18)23-28-26(11-12-26)25(32)30(23)16-17-10-13-29(15-17)24(31)20-8-9-20/h1-7,14,17,20H,8-13,15-16H2/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...				Bioorg Med Chem Lett 28: 2159-2164 (2018) Article DOI: 10.1016/j.bmcl.2018.05.014 BindingDB Entry DOI: 10.7270/Q2FB55FW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50273807 (CHEMBL4127608) Show SMILES Cc1cc(ccc1C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1)-c1ccc2n(C)ncc2c1 |r,t:8| Show InChI InChI=1S/C29H31N5O2/c1-18-13-21(22-6-8-25-23(14-22)15-30-32(25)2)5-7-24(18)26-31-29(10-11-29)28(36)34(26)17-19-9-12-33(16-19)27(35)20-3-4-20/h5-8,13-15,19-20H,3-4,9-12,16-17H2,1-2H3/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...				Bioorg Med Chem Lett 28: 2159-2164 (2018) Article DOI: 10.1016/j.bmcl.2018.05.014 BindingDB Entry DOI: 10.7270/Q2FB55FW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50273812 (CHEMBL4125752) Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:21| Show InChI InChI=1S/C30H31N5O2/c1-33-19-26(16-31-33)23-4-2-21(3-5-23)22-6-8-24(9-7-22)27-32-30(13-14-30)29(37)35(27)18-20-12-15-34(17-20)28(36)25-10-11-25/h2-9,16,19-20,25H,10-15,17-18H2,1H3/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human FASN KR-domain after 20 mins in presence of NADPH				Bioorg Med Chem Lett 28: 2159-2164 (2018) Article DOI: 10.1016/j.bmcl.2018.05.014 BindingDB Entry DOI: 10.7270/Q2FB55FW
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50366802 (CHEMBL1788264) Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)[C@H](C)Cn1ccnc1NC#N |r| Show InChI InChI=1S/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50110035 (1-[2-(3-Cyclopropylmethoxy-4-methoxy-phenyl)-propy...) Show SMILES COc1ccc(cc1OCC1CC1)C(C)Cn1ccnc1NC#N Show InChI InChI=1S/C18H22N4O2/c1-13(10-22-8-7-20-18(22)21-12-19)15-5-6-16(23-2)17(9-15)24-11-14-3-4-14/h5-9,13-14H,3-4,10-11H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50110033 (1-{2-[3-(2-Indan-2-yl-ethoxy)-4-methoxy-phenyl]-pr...) Show SMILES COc1ccc(cc1OCCC1Cc2ccccc2C1)C(C)Cn1ccnc1NC#N Show InChI InChI=1S/C25H28N4O2/c1-18(16-29-11-10-27-25(29)28-17-26)20-7-8-23(30-2)24(15-20)31-12-9-19-13-21-5-3-4-6-22(21)14-19/h3-8,10-11,15,18-19H,9,12-14,16H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50273892 (CHEMBL4127027) Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1CC1CN(C1)C(=O)C1CC1 |t:19| Show InChI InChI=1S/C27H27N5O2/c1-30-23-9-8-21(12-22(23)13-28-30)18-2-4-19(5-3-18)24-29-27(10-11-27)26(34)32(24)16-17-14-31(15-17)25(33)20-6-7-20/h2-5,8-9,12-13,17,20H,6-7,10-11,14-16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...				Bioorg Med Chem Lett 28: 2159-2164 (2018) Article DOI: 10.1016/j.bmcl.2018.05.014 BindingDB Entry DOI: 10.7270/Q2FB55FW
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50346088 ((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...) Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)| Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid synthase (Homo sapiens (Human))	BDBM50273836 (CHEMBL4129242) Show SMILES O=C([C@@H]1CCCO1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3occc3c2)C1 |r,c:20| Show InChI InChI=1S/C29H29N3O4/c33-27(25-2-1-14-35-25)31-13-9-19(17-31)18-32-26(30-29(11-12-29)28(32)34)21-5-3-20(4-6-21)22-7-8-24-23(16-22)10-15-36-24/h3-8,10,15-16,19,25H,1-2,9,11-14,17-18H2/t19-,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...				Bioorg Med Chem Lett 28: 2159-2164 (2018) Article DOI: 10.1016/j.bmcl.2018.05.014 BindingDB Entry DOI: 10.7270/Q2FB55FW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50273890 (CHEMBL4129240) Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC2(CCCC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:19| Show InChI InChI=1S/C30H33N5O2/c1-33-26-11-10-24(16-25(26)17-31-33)21-4-6-22(7-5-21)27-32-30(13-2-3-14-30)29(37)35(27)19-20-12-15-34(18-20)28(36)23-8-9-23/h4-7,10-11,16-17,20,23H,2-3,8-9,12-15,18-19H2,1H3/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...				Bioorg Med Chem Lett 28: 2159-2164 (2018) Article DOI: 10.1016/j.bmcl.2018.05.014 BindingDB Entry DOI: 10.7270/Q2FB55FW
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50110039 (1-[2-(3-Cyclopropylmethoxy-4-methoxy-phenyl)-propy...) Show SMILES COc1ccc(cc1OCC1CC1)C(C)Cn1cc[nH]c1=O Show InChI InChI=1S/C17H22N2O3/c1-12(10-19-8-7-18-17(19)20)14-5-6-15(21-2)16(9-14)22-11-13-3-4-13/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50110036 (1-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-ethyl]-1,...) Show SMILES COc1ccc(CCn2cc[nH]c2=O)cc1OC1CCCC1 Show InChI InChI=1S/C17H22N2O3/c1-21-15-7-6-13(8-10-19-11-9-18-17(19)20)12-16(15)22-14-4-2-3-5-14/h6-7,9,11-12,14H,2-5,8,10H2,1H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes				Bioorg Med Chem Lett 12: 653-8 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KF6
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50273772 (CHEMBL4126572) Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2cnc3ccccc3c2)C1 |r,c:18| Show InChI InChI=1S/C29H28N4O2/c34-27(22-9-10-22)32-14-11-19(17-32)18-33-26(31-29(12-13-29)28(33)35)21-7-5-20(6-8-21)24-15-23-3-1-2-4-25(23)30-16-24/h1-8,15-16,19,22H,9-14,17-18H2/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...				Bioorg Med Chem Lett 28: 2159-2164 (2018) Article DOI: 10.1016/j.bmcl.2018.05.014 BindingDB Entry DOI: 10.7270/Q2FB55FW
					More data for this Ligand-Target Pair

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