Compile Data Set for Download or QSAR

Found 142 hits with Last Name = 'guntrip' and Initial = 'sb'   

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))	BDBM50415001 (CHEMBL570015 | GSK-256066 | GSK-256066 (3)) Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)S(=O)(=O)c2cccc(c2)C(=O)N(C)C)C(N)=O)c1 Show InChI InChI=1S/C27H26N4O5S/c1-16-11-21(37(34,35)20-10-5-7-17(12-20)27(33)31(2)3)14-22-24(16)29-15-23(26(28)32)25(22)30-18-8-6-9-19(13-18)36-4/h5-15H,1-4H3,(H2,28,32)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.00794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50414999 (CHEMBL569791) Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)c2cccc(c2)C(=O)N(C)C)C(N)=O)c1 Show InChI InChI=1S/C26H24N4O5S/c1-30(2)26(32)16-6-4-9-19(12-16)36(33,34)20-10-11-23-21(14-20)24(22(15-28-23)25(27)31)29-17-7-5-8-18(13-17)35-3/h4-15H,1-3H3,(H2,27,31)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50415009 (CHEMBL571381) Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(C)c2ncc(C(N)=O)c(Nc3cccc(OC)c3)c2c1 Show InChI InChI=1S/C25H23N3O5S/c1-15-11-20(34(30,31)19-9-7-17(32-2)8-10-19)13-21-23(15)27-14-22(25(26)29)24(21)28-16-5-4-6-18(12-16)33-3/h4-14H,1-3H3,(H2,26,29)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50415008 (CHEMBL584327) Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)S(=O)(=O)c2ccccc2)C(N)=O)c1 Show InChI InChI=1S/C24H21N3O4S/c1-15-11-19(32(29,30)18-9-4-3-5-10-18)13-20-22(15)26-14-21(24(25)28)23(20)27-16-7-6-8-17(12-16)31-2/h3-14H,1-2H3,(H2,25,28)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50414998 (CHEMBL569556) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(OC)c3)c2c1 Show InChI InChI=1S/C24H21N3O5S/c1-31-16-6-8-18(9-7-16)33(29,30)19-10-11-22-20(13-19)23(21(14-26-22)24(25)28)27-15-4-3-5-17(12-15)32-2/h3-14H,1-2H3,(H2,25,28)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM14774 (3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...) Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50415007 (CHEMBL571171) Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)c2ccc(cc2)C(C)(C)C)C(N)=O)c1 Show InChI InChI=1S/C27H27N3O4S/c1-27(2,3)17-8-10-20(11-9-17)35(32,33)21-12-13-24-22(15-21)25(23(16-29-24)26(28)31)30-18-6-5-7-19(14-18)34-4/h5-16H,1-4H3,(H2,28,31)(H,29,30)	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
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50414992 (CHEMBL576479) Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)N(C)C)C(N)=O)c1 Show InChI InChI=1S/C19H20N4O4S/c1-23(2)28(25,26)14-7-8-17-15(10-14)18(16(11-21-17)19(20)24)22-12-5-4-6-13(9-12)27-3/h4-11H,1-3H3,(H2,20,24)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	23
GlaxoSmithKline					Assay Description Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...				Bioorg Med Chem Lett 14: 111-4 (2004) Article DOI: 10.1016/j.bmcl.2003.10.010 BindingDB Entry DOI: 10.7270/Q2HQ3X4M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	23
GlaxoSmithKline					Assay Description Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...				Bioorg Med Chem Lett 14: 111-4 (2004) Article DOI: 10.1016/j.bmcl.2003.10.010 BindingDB Entry DOI: 10.7270/Q2HQ3X4M
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50413291 (CHEMBL515240) Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)c2ccccc2)C(N)=O)c1 Show InChI InChI=1S/C23H19N3O4S/c1-30-16-7-5-6-15(12-16)26-22-19-13-18(31(28,29)17-8-3-2-4-9-17)10-11-21(19)25-14-20(22)23(24)27/h2-14H,1H3,(H2,24,27)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50415000 (CHEMBL570029) Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)c2ccc(cc2)-c2ccoc2)C(N)=O)c1 Show InChI InChI=1S/C27H21N3O5S/c1-34-20-4-2-3-19(13-20)30-26-23-14-22(9-10-25(23)29-15-24(26)27(28)31)36(32,33)21-7-5-17(6-8-21)18-11-12-35-16-18/h2-16H,1H3,(H2,28,31)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029600 (5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...				Bioorg Med Chem Lett 19: 4509-14 (2009) Article DOI: 10.1016/j.bmcl.2009.02.089 BindingDB Entry DOI: 10.7270/Q2W66KSC
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50415004 (CHEMBL571593) Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)N2CCOCC2)C(N)=O)c1 Show InChI InChI=1S/C21H22N4O5S/c1-29-15-4-2-3-14(11-15)24-20-17-12-16(31(27,28)25-7-9-30-10-8-25)5-6-19(17)23-13-18(20)21(22)26/h2-6,11-13H,7-10H2,1H3,(H2,22,26)(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50415006 (CHEMBL585528) Show SMILES NC(=O)c1cnc2ccc(cc2c1Nc1ccc2ncsc2c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H16N4O3S2/c24-23(28)18-12-25-19-9-7-16(32(29,30)15-4-2-1-3-5-15)11-17(19)22(18)27-14-6-8-20-21(10-14)31-13-26-20/h1-13H,(H2,24,28)(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50414989 (CHEMBL585937) Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)C2CCCC2)C(N)=O)c1 Show InChI InChI=1S/C22H23N3O4S/c1-29-15-6-4-5-14(11-15)25-21-18-12-17(30(27,28)16-7-2-3-8-16)9-10-20(18)24-13-19(21)22(23)26/h4-6,9-13,16H,2-3,7-8H2,1H3,(H2,23,26)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50414994 (CHEMBL571386) Show SMILES NC(=O)c1cnc2ccc(cc2c1Nc1cccc(c1)C#N)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H16N4O3S/c24-13-15-5-4-6-16(11-15)27-22-19-12-18(31(29,30)17-7-2-1-3-8-17)9-10-21(19)26-14-20(22)23(25)28/h1-12,14H,(H2,25,28)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50413298 (CHEMBL462150) Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(C)(=O)=O)C(N)=O)c1 Show InChI InChI=1S/C18H17N3O4S/c1-25-12-5-3-4-11(8-12)21-17-14-9-13(26(2,23)24)6-7-16(14)20-10-15(17)18(19)22/h3-10H,1-2H3,(H2,19,22)(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50415005 (CHEMBL569352) Show SMILES NC(=O)c1cnc2ccc(cc2c1Nc1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C22H17N3O3S/c23-22(26)19-14-24-20-12-11-17(29(27,28)16-9-5-2-6-10-16)13-18(20)21(19)25-15-7-3-1-4-8-15/h1-14H,(H2,23,26)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5443 (6-Thiazolylquinazoline 5 | N-[4-(benzyloxy)-3-chlo...) Show SMILES CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2c1 Show InChI InChI=1S/C28H26ClN5O3S2/c1-39(35,36)12-11-30-15-27-34-25(17-38-27)20-7-9-24-22(13-20)28(32-18-31-24)33-21-8-10-26(23(29)14-21)37-16-19-5-3-2-4-6-19/h2-10,13-14,17-18,30H,11-12,15-16H2,1H3,(H,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.5	23
GlaxoSmithKline					Assay Description Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...				Bioorg Med Chem Lett 14: 111-4 (2004) Article DOI: 10.1016/j.bmcl.2003.10.010 BindingDB Entry DOI: 10.7270/Q2HQ3X4M
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM5445 (CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...) Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	23
GlaxoSmithKline					Assay Description Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...				Bioorg Med Chem Lett 14: 111-4 (2004) Article DOI: 10.1016/j.bmcl.2003.10.010 BindingDB Entry DOI: 10.7270/Q2HQ3X4M
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5445 (CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...) Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	23
GlaxoSmithKline					Assay Description Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...				Bioorg Med Chem Lett 14: 111-4 (2004) Article DOI: 10.1016/j.bmcl.2003.10.010 BindingDB Entry DOI: 10.7270/Q2HQ3X4M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5444 (6-Thiazolylquinazoline 6 | CHEMBL453376 | N-{3-chl...) Show SMILES CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C28H25ClFN5O3S2/c1-40(36,37)10-9-31-14-27-35-25(16-39-27)19-5-7-24-22(12-19)28(33-17-32-24)34-21-6-8-26(23(29)13-21)38-15-18-3-2-4-20(30)11-18/h2-8,11-13,16-17,31H,9-10,14-15H2,1H3,(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	23
GlaxoSmithKline					Assay Description Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...				Bioorg Med Chem Lett 14: 111-4 (2004) Article DOI: 10.1016/j.bmcl.2003.10.010 BindingDB Entry DOI: 10.7270/Q2HQ3X4M
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50414993 (CHEMBL571594) Show SMILES CCc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)c2ccccc2)C(N)=O)c1 Show InChI InChI=1S/C24H21N3O3S/c1-2-16-7-6-8-17(13-16)27-23-20-14-19(31(29,30)18-9-4-3-5-10-18)11-12-22(20)26-15-21(23)24(25)28/h3-15H,2H2,1H3,(H2,25,28)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia 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
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297695 (2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-(meth...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(CC2CCCCC2)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C24H25FN2O2S/c1-30(28,29)21-13-9-18(10-14-21)22-16-26-23(15-17-5-3-2-4-6-17)27-24(22)19-7-11-20(25)12-8-19/h7-14,16-17H,2-6,15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...				Bioorg Med Chem Lett 19: 4509-14 (2009) Article DOI: 10.1016/j.bmcl.2009.02.089 BindingDB Entry DOI: 10.7270/Q2W66KSC
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50414997 (CHEMBL569555) Show SMILES Cc1coc2CCCC(Nc3c(cnc4ccc(cc34)S(=O)(=O)c3ccccc3)C(N)=O)c12 Show InChI InChI=1S/C25H23N3O4S/c1-15-14-32-22-9-5-8-21(23(15)22)28-24-18-12-17(33(30,31)16-6-3-2-4-7-16)10-11-20(18)27-13-19(24)25(26)29/h2-4,6-7,10-14,21H,5,8-9H2,1H3,(H2,26,29)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	12.6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM5443 (6-Thiazolylquinazoline 5 | N-[4-(benzyloxy)-3-chlo...) Show SMILES CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2c1 Show InChI InChI=1S/C28H26ClN5O3S2/c1-39(35,36)12-11-30-15-27-34-25(17-38-27)20-7-9-24-22(13-20)28(32-18-31-24)33-21-8-10-26(23(29)14-21)37-16-19-5-3-2-4-6-19/h2-10,13-14,17-18,30H,11-12,15-16H2,1H3,(H,31,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	23
GlaxoSmithKline					Assay Description Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...				Bioorg Med Chem Lett 14: 111-4 (2004) Article DOI: 10.1016/j.bmcl.2003.10.010 BindingDB Entry DOI: 10.7270/Q2HQ3X4M
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM5444 (6-Thiazolylquinazoline 6 | CHEMBL453376 | N-{3-chl...) Show SMILES CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C28H25ClFN5O3S2/c1-40(36,37)10-9-31-14-27-35-25(16-39-27)19-5-7-24-22(12-19)28(33-17-32-24)34-21-6-8-26(23(29)13-21)38-15-18-3-2-4-20(30)11-18/h2-8,11-13,16-17,31H,9-10,14-15H2,1H3,(H,32,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	23
GlaxoSmithKline					Assay Description Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...				Bioorg Med Chem Lett 14: 111-4 (2004) Article DOI: 10.1016/j.bmcl.2003.10.010 BindingDB Entry DOI: 10.7270/Q2HQ3X4M
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297696 (4-(4-fluorophenyl)-2-((1-methyl-1H-pyrrol-2-yl)met...) Show SMILES Cn1cccc1Cc1ncc(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H20FN3O2S/c1-27-13-3-4-19(27)14-22-25-15-21(16-7-11-20(12-8-16)30(2,28)29)23(26-22)17-5-9-18(24)10-6-17/h3-13,15H,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...				Bioorg Med Chem Lett 19: 4509-14 (2009) Article DOI: 10.1016/j.bmcl.2009.02.089 BindingDB Entry DOI: 10.7270/Q2W66KSC
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50414991 (CHEMBL569790) Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)C(=O)N2CCOCC2)C(N)=O)c1 Show InChI InChI=1S/C22H22N4O4/c1-29-16-4-2-3-15(12-16)25-20-17-11-14(22(28)26-7-9-30-10-8-26)5-6-19(17)24-13-18(20)21(23)27/h2-6,11-13H,7-10H2,1H3,(H2,23,27)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25.1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM5441 (6-Thiazolylquinazoline 3 | N-(1-benzyl-1H-indazol-...) Show SMILES CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1 Show InChI InChI=1S/C29H27N7O2S2/c1-40(37,38)12-11-30-16-28-35-26(18-39-28)21-7-9-25-24(14-21)29(32-19-31-25)34-23-8-10-27-22(13-23)15-33-36(27)17-20-5-3-2-4-6-20/h2-10,13-15,18-19,30H,11-12,16-17H2,1H3,(H,31,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	7.5	23
GlaxoSmithKline					Assay Description Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...				Bioorg Med Chem Lett 14: 111-4 (2004) Article DOI: 10.1016/j.bmcl.2003.10.010 BindingDB Entry DOI: 10.7270/Q2HQ3X4M
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50415003 (CHEMBL570956) Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)C(=O)N(C)C)C(N)=O)c1 Show InChI InChI=1S/C20H20N4O3/c1-24(2)20(26)12-7-8-17-15(9-12)18(16(11-22-17)19(21)25)23-13-5-4-6-14(10-13)27-3/h4-11H,1-3H3,(H2,21,25)(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5439 (6-Thiazolylquinazoline 1 | N-(3-chloro-4-fluorophe...) Show SMILES CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C21H19ClFN5O2S2/c1-32(29,30)7-6-24-10-20-28-19(11-31-20)13-2-5-18-15(8-13)21(26-12-25-18)27-14-3-4-17(23)16(22)9-14/h2-5,8-9,11-12,24H,6-7,10H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	7.5	23
GlaxoSmithKline					Assay Description Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...				Bioorg Med Chem Lett 14: 111-4 (2004) Article DOI: 10.1016/j.bmcl.2003.10.010 BindingDB Entry DOI: 10.7270/Q2HQ3X4M
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50414996 (CHEMBL571170) Show SMILES NC(=O)c1cnc2ccc(cc2c1Nc1cccnc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H16N4O3S/c22-21(26)18-13-24-19-9-8-16(29(27,28)15-6-2-1-3-7-15)11-17(19)20(18)25-14-5-4-10-23-12-14/h1-13H,(H2,22,26)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39.8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50414995 (CHEMBL585537) Show SMILES NC(=O)c1cnc2ccc(cc2c1NC1CCCCC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C22H23N3O3S/c23-22(26)19-14-24-20-12-11-17(29(27,28)16-9-5-2-6-10-16)13-18(20)21(19)25-15-7-3-1-4-8-15/h2,5-6,9-15H,1,3-4,7-8H2,(H2,23,26)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39.8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50042058 ((-)-rolipram | (4R)-4-[3-(cyclopentyloxy)-4-methox...) Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CNC(=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)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39.8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297709 (2-((4-(4-fluorophenyl)-5-(4-(methylsulfonyl)phenyl...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(Cc2ccccc2O)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C24H19FN2O3S/c1-31(29,30)20-12-8-16(9-13-20)21-15-26-23(14-18-4-2-3-5-22(18)28)27-24(21)17-6-10-19(25)11-7-17/h2-13,15,28H,14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...				Bioorg Med Chem Lett 19: 4509-14 (2009) Article DOI: 10.1016/j.bmcl.2009.02.089 BindingDB Entry DOI: 10.7270/Q2W66KSC
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM5440 (6-Thiazolylquinazoline 2 | N-[4-(benzyloxy)phenyl]...) Show SMILES CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 Show InChI InChI=1S/C28H27N5O3S2/c1-38(34,35)14-13-29-16-27-33-26(18-37-27)21-7-12-25-24(15-21)28(31-19-30-25)32-22-8-10-23(11-9-22)36-17-20-5-3-2-4-6-20/h2-12,15,18-19,29H,13-14,16-17H2,1H3,(H,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	7.5	23
GlaxoSmithKline					Assay Description Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...				Bioorg Med Chem Lett 14: 111-4 (2004) Article DOI: 10.1016/j.bmcl.2003.10.010 BindingDB Entry DOI: 10.7270/Q2HQ3X4M
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297697 (4-(4-fluorophenyl)-5-(4-(methylsulfonyl)phenyl)-N-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(Nc2ccccc2)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C23H18FN3O2S/c1-30(28,29)20-13-9-16(10-14-20)21-15-25-23(26-19-5-3-2-4-6-19)27-22(21)17-7-11-18(24)12-8-17/h2-15H,1H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...				Bioorg Med Chem Lett 19: 4509-14 (2009) Article DOI: 10.1016/j.bmcl.2009.02.089 BindingDB Entry DOI: 10.7270/Q2W66KSC
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297708 ((4-(4-fluorophenyl)-5-(4-(methylsulfonyl)phenyl)py...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(nc1-c1ccc(F)cc1)C(O)c1ccccc1 Show InChI InChI=1S/C24H19FN2O3S/c1-31(29,30)20-13-9-16(10-14-20)21-15-26-24(23(28)18-5-3-2-4-6-18)27-22(21)17-7-11-19(25)12-8-17/h2-15,23,28H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...				Bioorg Med Chem Lett 19: 4509-14 (2009) Article DOI: 10.1016/j.bmcl.2009.02.089 BindingDB Entry DOI: 10.7270/Q2W66KSC
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029616 (5-(4-Fluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-3...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(F)(F)F Show InChI InChI=1S/C17H12F4N2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...				Bioorg Med Chem Lett 19: 4509-14 (2009) Article DOI: 10.1016/j.bmcl.2009.02.089 BindingDB Entry DOI: 10.7270/Q2W66KSC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5441 (6-Thiazolylquinazoline 3 | N-(1-benzyl-1H-indazol-...) Show SMILES CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1 Show InChI InChI=1S/C29H27N7O2S2/c1-40(37,38)12-11-30-16-28-35-26(18-39-28)21-7-9-25-24(14-21)29(32-19-31-25)34-23-8-10-27-22(13-23)15-33-36(27)17-20-5-3-2-4-6-20/h2-10,13-15,18-19,30H,11-12,16-17H2,1H3,(H,31,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	7.5	23
GlaxoSmithKline					Assay Description Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...				Bioorg Med Chem Lett 14: 111-4 (2004) Article DOI: 10.1016/j.bmcl.2003.10.010 BindingDB Entry DOI: 10.7270/Q2HQ3X4M
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5440 (6-Thiazolylquinazoline 2 | N-[4-(benzyloxy)phenyl]...) Show SMILES CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 Show InChI InChI=1S/C28H27N5O3S2/c1-38(34,35)14-13-29-16-27-33-26(18-37-27)21-7-12-25-24(15-21)28(31-19-30-25)32-22-8-10-23(11-9-22)36-17-20-5-3-2-4-6-20/h2-12,15,18-19,29H,13-14,16-17H2,1H3,(H,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	7.5	23
GlaxoSmithKline					Assay Description Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...				Bioorg Med Chem Lett 14: 111-4 (2004) Article DOI: 10.1016/j.bmcl.2003.10.010 BindingDB Entry DOI: 10.7270/Q2HQ3X4M
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297698 (4-(4-fluorophenyl)-N-methyl-5-(4-(methylsulfonyl)p...) Show SMILES CN(c1ccccc1)c1ncc(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H20FN3O2S/c1-28(20-6-4-3-5-7-20)24-26-16-22(17-10-14-21(15-11-17)31(2,29)30)23(27-24)18-8-12-19(25)13-9-18/h3-16H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...				Bioorg Med Chem Lett 19: 4509-14 (2009) Article DOI: 10.1016/j.bmcl.2009.02.089 BindingDB Entry DOI: 10.7270/Q2W66KSC
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297699 (2-benzyl-4-(4-fluorophenyl)-5-(4-(methylsulfonyl)p...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(Cc2ccccc2)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C24H19FN2O2S/c1-30(28,29)21-13-9-18(10-14-21)22-16-26-23(15-17-5-3-2-4-6-17)27-24(22)19-7-11-20(25)12-8-19/h2-14,16H,15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...				Bioorg Med Chem Lett 19: 4509-14 (2009) Article DOI: 10.1016/j.bmcl.2009.02.089 BindingDB Entry DOI: 10.7270/Q2W66KSC
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297700 (2-(2,4-difluorobenzyl)-4-(4-fluorophenyl)-5-(4-(me...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(Cc2ccc(F)cc2F)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C24H17F3N2O2S/c1-32(30,31)20-10-5-15(6-11-20)21-14-28-23(12-17-4-9-19(26)13-22(17)27)29-24(21)16-2-7-18(25)8-3-16/h2-11,13-14H,12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...				Bioorg Med Chem Lett 19: 4509-14 (2009) Article DOI: 10.1016/j.bmcl.2009.02.089 BindingDB Entry DOI: 10.7270/Q2W66KSC
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50414990 (CHEMBL571383) Show SMILES COc1cccc(Nc2c(cnc3ccc(Sc4ccccc4)cc23)C(N)=O)c1 Show InChI InChI=1S/C23H19N3O2S/c1-28-16-7-5-6-15(12-16)26-22-19-13-18(29-17-8-3-2-4-9-17)10-11-21(19)25-14-20(22)23(24)27/h2-14H,1H3,(H2,24,27)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia 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
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50415002 (CHEMBL576311) Show SMILES COc1cccc(Nc2c(cnc3ccccc23)C(N)=O)c1 Show InChI InChI=1S/C17H15N3O2/c1-22-12-6-4-5-11(9-12)20-16-13-7-2-3-8-15(13)19-10-14(16)17(18)21/h2-10H,1H3,(H2,18,21)(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay				Bioorg Med Chem Lett 19: 5261-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.012 BindingDB Entry DOI: 10.7270/Q2K075HB
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM5439 (6-Thiazolylquinazoline 1 | N-(3-chloro-4-fluorophe...) Show SMILES CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C21H19ClFN5O2S2/c1-32(29,30)7-6-24-10-20-28-19(11-31-20)13-2-5-18-15(8-13)21(26-12-25-18)27-14-3-4-17(23)16(22)9-14/h2-5,8-9,11-12,24H,6-7,10H2,1H3,(H,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.5	23
GlaxoSmithKline					Assay Description Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...				Bioorg Med Chem Lett 14: 111-4 (2004) Article DOI: 10.1016/j.bmcl.2003.10.010 BindingDB Entry DOI: 10.7270/Q2HQ3X4M
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	7.5	23
GlaxoSmithKline					Assay Description Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...				Bioorg Med Chem Lett 14: 111-4 (2004) Article DOI: 10.1016/j.bmcl.2003.10.010 BindingDB Entry DOI: 10.7270/Q2HQ3X4M
					More data for this Ligand-Target Pair

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