Compile Data Set for Download or QSAR

Found 178 hits with Last Name = 'yun' and Initial = 'l'   

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
Translocator protein (Rattus norvegicus (rat))	BDBM150169 (US8980887, Compound 13) Show SMILES CCN(Cc1ccccc1)C(=O)Cc1c(nc2cc(C)ccn12)-c1ccc(C)cc1 Show InChI InChI=1S/C26H27N3O/c1-4-28(18-21-8-6-5-7-9-21)25(30)17-23-26(22-12-10-19(2)11-13-22)27-24-16-20(3)14-15-29(23)24/h5-16H,4,17-18H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.97	-49.5	6.99	n/a	n/a	n/a	n/a	n/a	30
Institute of Pharmacology; Toxicology Academy of Military Medical Sciences P.L.A., China US Patent					Assay Description Competitive Binding Test of Drug to the Receptor (Rat Heart TSPO) and Radioligand (3H-PK11195): (1) tubes were placed in reaction condition of 30 C.(...				US Patent US8980887 (2015) BindingDB Entry DOI: 10.7270/Q2D50KP2
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM150168 (US8980887, Compound 11) Show SMILES COCCN(Cc1ccccn1)C(=O)Cc1c(nc2cc(C)ccn12)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H24Cl2N4O2/c1-17-8-10-31-22(25(29-23(31)13-17)18-6-7-20(26)21(27)14-18)15-24(32)30(11-12-33-2)16-19-5-3-4-9-28-19/h3-10,13-14H,11-12,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.66	-47.5	15.6	n/a	n/a	n/a	n/a	n/a	30
Institute of Pharmacology; Toxicology Academy of Military Medical Sciences P.L.A., China US Patent					Assay Description Competitive Binding Test of Drug to the Receptor (Rat Heart TSPO) and Radioligand (3H-PK11195): (1) tubes were placed in reaction condition of 30 C.(...				US Patent US8980887 (2015) BindingDB Entry DOI: 10.7270/Q2D50KP2
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM150164 (US8980887, Compound 1) Show SMILES CCN(Cc1ccccc1)C(=O)Cc1c(nc2cc(C)ccn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24ClN3O/c1-3-28(17-19-7-5-4-6-8-19)24(30)16-22-25(20-9-11-21(26)12-10-20)27-23-15-18(2)13-14-29(22)23/h4-15H,3,16-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.17	-47.3	16.9	n/a	n/a	n/a	n/a	n/a	30
Institute of Pharmacology; Toxicology Academy of Military Medical Sciences P.L.A., China US Patent					Assay Description Competitive Binding Test of Drug to the Receptor (Rat Heart TSPO) and Radioligand (3H-PK11195): (1) tubes were placed in reaction condition of 30 C.(...				US Patent US8980887 (2015) BindingDB Entry DOI: 10.7270/Q2D50KP2
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM150166 (US8980887, Compound 8) Show SMILES CCN(Cc1ccccn1)C(=O)Cc1c(nc2cc(C)ccn12)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H22Cl2N4O/c1-3-29(15-18-6-4-5-10-27-18)23(31)14-21-24(17-7-8-19(25)20(26)13-17)28-22-12-16(2)9-11-30(21)22/h4-13H,3,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9.34	-46.6	21.9	n/a	n/a	n/a	n/a	n/a	30
Institute of Pharmacology; Toxicology Academy of Military Medical Sciences P.L.A., China US Patent					Assay Description Competitive Binding Test of Drug to the Receptor (Rat Heart TSPO) and Radioligand (3H-PK11195): (1) tubes were placed in reaction condition of 30 C.(...				US Patent US8980887 (2015) BindingDB Entry DOI: 10.7270/Q2D50KP2
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM150167 (US8980887, Compound 10) Show SMILES CCN(Cc1ccncc1)C(=O)Cc1c(nc2cc(C)ccn12)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H22Cl2N4O/c1-3-29(15-17-6-9-27-10-7-17)23(31)14-21-24(18-4-5-19(25)20(26)13-18)28-22-12-16(2)8-11-30(21)22/h4-13H,3,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	11.1	-46.2	26.1	n/a	n/a	n/a	n/a	n/a	30
Institute of Pharmacology; Toxicology Academy of Military Medical Sciences P.L.A., China US Patent					Assay Description Competitive Binding Test of Drug to the Receptor (Rat Heart TSPO) and Radioligand (3H-PK11195): (1) tubes were placed in reaction condition of 30 C.(...				US Patent US8980887 (2015) BindingDB Entry DOI: 10.7270/Q2D50KP2
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM150170 (US8980887, Compound 14) Show SMILES CCN(Cc1ccccn1)C(=O)Cc1c(nc2cc(C)ccn12)-c1ccc(C)cc1 Show InChI InChI=1S/C25H26N4O/c1-4-28(17-21-7-5-6-13-26-21)24(30)16-22-25(20-10-8-18(2)9-11-20)27-23-15-19(3)12-14-29(22)23/h5-15H,4,16-17H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	38.7	-43.0	91.0	n/a	n/a	n/a	n/a	n/a	30
Institute of Pharmacology; Toxicology Academy of Military Medical Sciences P.L.A., China US Patent					Assay Description Competitive Binding Test of Drug to the Receptor (Rat Heart TSPO) and Radioligand (3H-PK11195): (1) tubes were placed in reaction condition of 30 C.(...				US Patent US8980887 (2015) BindingDB Entry DOI: 10.7270/Q2D50KP2
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM150165 (US8980887, Compound 7) Show SMILES CCN(Cc1ccccc1)C(=O)Cc1c(nc2cc(C)ccn12)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H23Cl2N3O/c1-3-29(16-18-7-5-4-6-8-18)24(31)15-22-25(19-9-10-20(26)21(27)14-19)28-23-13-17(2)11-12-30(22)23/h4-14H,3,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	49.2	-42.4	116	n/a	n/a	n/a	n/a	n/a	30
Institute of Pharmacology; Toxicology Academy of Military Medical Sciences P.L.A., China US Patent					Assay Description Competitive Binding Test of Drug to the Receptor (Rat Heart TSPO) and Radioligand (3H-PK11195): (1) tubes were placed in reaction condition of 30 C.(...				US Patent US8980887 (2015) BindingDB Entry DOI: 10.7270/Q2D50KP2
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50321104 (CHEMBL1163804 | DFGYVAE) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C37H49N7O13/c1-19(2)31(36(55)40-20(3)32(51)42-25(37(56)57)13-14-29(47)48)44-35(54)27(16-22-9-11-23(45)12-10-22)41-28(46)18-39-34(53)26(15-21-7-5-4-6-8-21)43-33(52)24(38)17-30(49)50/h4-12,19-20,24-27,31,45H,13-18,38H2,1-3H3,(H,39,53)(H,40,55)(H,41,46)(H,42,51)(H,43,52)(H,44,54)(H,47,48)(H,49,50)(H,56,57)/t20-,24-,25-,26-,27-,31-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of the Chemistry of Plant Substances Curated by ChEMBL					Assay Description Competitive inhibition of HMG-CoA reductase by Dixon plot analysis				Bioorg Med Chem 18: 4300-9 (2010) Article DOI: 10.1016/j.bmc.2010.04.090 BindingDB Entry DOI: 10.7270/Q2VM4CFG
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50321100 (CHEMBL1164546 | GF(4-fluro)PTGG) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CN)C(=O)NCC(=O)NCC(O)=O |r| Show InChI InChI=1S/C24H33FN6O8/c1-13(32)21(23(38)28-11-19(34)27-12-20(35)36)30-22(37)17-3-2-8-31(17)24(39)16(29-18(33)10-26)9-14-4-6-15(25)7-5-14/h4-7,13,16-17,21,32H,2-3,8-12,26H2,1H3,(H,27,34)(H,28,38)(H,29,33)(H,30,37)(H,35,36)/t13-,16+,17+,21+/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of the Chemistry of Plant Substances Curated by ChEMBL					Assay Description Competitive inhibition of HMG-CoA reductase by Dixon plot analysis				Bioorg Med Chem 18: 4300-9 (2010) Article DOI: 10.1016/j.bmc.2010.04.090 BindingDB Entry DOI: 10.7270/Q2VM4CFG
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50004566 (9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...) Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum				J Med Chem 31: 1014-20 (1988) BindingDB Entry DOI: 10.7270/Q2T43S4W
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50023492 (5-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazo...) Show SMILES Nc1nc2ccc(O)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H9N5O2/c14-13-15-9-4-3-7(19)6-8(9)12-16-11(17-18(12)13)10-2-1-5-20-10/h1-6,19H,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum				J Med Chem 31: 1014-20 (1988) BindingDB Entry DOI: 10.7270/Q2T43S4W
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310205 (7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphenyl)...) Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)-c1ccnc2cc(nn12)-c1cccc(I)c1 Show InChI InChI=1S/C23H18F2IN3O2/c24-23(25)31-20-7-6-16(11-21(20)30-13-14-4-5-14)19-8-9-27-22-12-18(28-29(19)22)15-2-1-3-17(26)10-15/h1-3,6-12,14,23H,4-5,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310235 (3-[7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphen...) Show SMILES OC(=O)c1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C24H19F2N3O4/c25-24(26)33-20-7-6-16(11-21(20)32-13-14-4-5-14)19-8-9-27-22-12-18(28-29(19)22)15-2-1-3-17(10-15)23(30)31/h1-3,6-12,14,24H,4-5,13H2,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50023492 (5-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazo...) Show SMILES Nc1nc2ccc(O)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H9N5O2/c14-13-15-9-4-3-7(19)6-8(9)12-16-11(17-18(12)13)10-2-1-5-20-10/h1-6,19H,(H2,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of binding towards adenosine A1 receptor using [3H]-N-cyclohexyladenosine ([3H]-CHA) in rat whole brain membranes.				J Med Chem 31: 1014-20 (1988) BindingDB Entry DOI: 10.7270/Q2T43S4W
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50067593 (CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Institute of Biotechnology Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease				Eur J Med Chem 45: 4096-103 (2010) Article DOI: 10.1016/j.ejmech.2010.05.070 BindingDB Entry DOI: 10.7270/Q2C53PP4
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310214 (2-(3-Bromophenyl)-7-(3'-cyclopropylmethoxy-4'-difl...) Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)-c1ccnc2cc(nn12)-c1cccc(Br)c1 Show InChI InChI=1S/C23H18BrF2N3O2/c24-17-3-1-2-15(10-17)18-12-22-27-9-8-19(29(22)28-18)16-6-7-20(31-23(25)26)21(11-16)30-13-14-4-5-14/h1-3,6-12,14,23H,4-5,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 proteolytic activity				Bioorg Med Chem Lett 22: 1408-14 (2012) Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50220373 (2-(2,4-DICHLORO-PHENYL)-7-HYDROXY-1H-BENZOIMIDAZOL...) Show SMILES CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)-c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C23H20Cl2N4O4S/c1-34(32,33)29-15-5-2-13(3-6-15)10-11-26-23(31)17-8-9-19(30)21-20(17)27-22(28-21)16-7-4-14(24)12-18(16)25/h2-9,12,29-30H,10-11H2,1H3,(H,26,31)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
CrystalGenomics, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3beta at 5 uM				Bioorg Med Chem Lett 17: 5686-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.056 BindingDB Entry DOI: 10.7270/Q2HH6JT3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 22: 1408-14 (2012) Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310226 (Acetic acid 3-[7-(3'-cyclopropylmethoxy-4'-difluor...) Show SMILES CC(=O)Oc1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C25H21F2N3O4/c1-15(31)33-19-4-2-3-17(11-19)20-13-24-28-10-9-21(30(24)29-20)18-7-8-22(34-25(26)27)23(12-18)32-14-16-5-6-16/h2-4,7-13,16,25H,5-6,14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50023505 (2-Furan-2-yl-9-methoxy-[1,2,4]triazolo[1,5-c]quina...) Show SMILES COc1ccc2nc(N)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C14H11N5O2/c1-20-8-4-5-10-9(7-8)13-17-12(11-3-2-6-21-11)18-19(13)14(15)16-10/h2-7H,1H3,(H2,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum				J Med Chem 31: 1014-20 (1988) BindingDB Entry DOI: 10.7270/Q2T43S4W
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	19.9	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 using Eu-CEVNLDAEFK-Qsy7 as substrate by HTRF assay				Bioorg Med Chem Lett 22: 1408-14 (2012) Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310210 (7-(3'-Cyclopentyloxy-4'-methoxyphenyl)-2-(3-chloro...) Show SMILES COc1ccc(cc1OC1CCCC1)-c1ccnc2cc(nn12)-c1cccc(Cl)c1 Show InChI InChI=1S/C24H22ClN3O2/c1-29-22-10-9-17(14-23(22)30-19-7-2-3-8-19)21-11-12-26-24-15-20(27-28(21)24)16-5-4-6-18(25)13-16/h4-6,9-15,19H,2-3,7-8H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310225 (3-(7-(3-(cyclopropylmethoxy)-4-methoxyphenyl)pyraz...) Show SMILES Oc1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C23H19F2N3O3/c24-23(25)31-20-7-6-16(11-21(20)30-13-14-4-5-14)19-8-9-26-22-12-18(27-28(19)22)15-2-1-3-17(29)10-15/h1-3,6-12,14,23,29H,4-5,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50004566 (9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...) Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of binding towards adenosine A1 receptor using [3H]-N-cyclohexyladenosine ([3H]-CHA) in rat whole brain membranes.				J Med Chem 31: 1014-20 (1988) BindingDB Entry DOI: 10.7270/Q2T43S4W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50023495 (2-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...) Show SMILES OCCNc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C15H12ClN5O2/c16-9-3-4-11-10(8-9)14-19-13(12-2-1-7-23-12)20-21(14)15(18-11)17-5-6-22/h1-4,7-8,22H,5-6H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of binding towards adenosine A1 receptor using [3H]-N-cyclohexyladenosine ([3H]-CHA) in rat whole brain membranes.				J Med Chem 31: 1014-20 (1988) BindingDB Entry DOI: 10.7270/Q2T43S4W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50023500 ((9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quina...) Show SMILES CC(C)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H14ClN5O/c1-9(2)18-16-19-12-6-5-10(17)8-11(12)15-20-14(21-22(15)16)13-4-3-7-23-13/h3-9H,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of binding towards adenosine A1 receptor using [3H]-N-cyclohexyladenosine ([3H]-CHA) in rat whole brain membranes.				J Med Chem 31: 1014-20 (1988) BindingDB Entry DOI: 10.7270/Q2T43S4W
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310240 (3-[7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphen...) Show SMILES CN(C)C(=O)c1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C26H24F2N4O3/c1-31(2)25(33)19-5-3-4-17(12-19)20-14-24-29-11-10-21(32(24)30-20)18-8-9-22(35-26(27)28)23(13-18)34-15-16-6-7-16/h3-5,8-14,16,26H,6-7,15H2,1-2H3	PDB 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
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50220369 (CHEMBL399140 | N-(4-(methylsulfonamido)phenethyl)-...) Show SMILES CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)-c2ccccc2)cc1 Show InChI InChI=1S/C23H22N4O4S/c1-32(30,31)27-17-9-7-15(8-10-17)13-14-24-23(29)18-11-12-19(28)21-20(18)25-22(26-21)16-5-3-2-4-6-16/h2-12,27-28H,13-14H2,1H3,(H,24,29)(H,25,26)	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	25	n/a	n/a	n/a	n/a	n/a	n/a
CrystalGenomics, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3beta at 5 uM				Bioorg Med Chem Lett 17: 5686-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.056 BindingDB Entry DOI: 10.7270/Q2HH6JT3
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310244 (7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphenyl)...) Show SMILES COc1ccc(cc1OC)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C25H23F2N3O4/c1-31-20-7-5-16(11-22(20)32-2)18-13-24-28-10-9-19(30(24)29-18)17-6-8-21(34-25(26)27)23(12-17)33-14-15-3-4-15/h5-13,15,25H,3-4,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50023496 (2-Furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl...) Show SMILES Nc1nc2ccccc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H9N5O/c14-13-15-9-5-2-1-4-8(9)12-16-11(17-18(12)13)10-6-3-7-19-10/h1-7H,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum				J Med Chem 31: 1014-20 (1988) BindingDB Entry DOI: 10.7270/Q2T43S4W
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310204 (7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphenyl)...) Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)-c1ccnc2cc(nn12)-c1cccnc1 Show InChI InChI=1S/C22H18F2N4O2/c23-22(24)30-19-6-5-15(10-20(19)29-13-14-3-4-14)18-7-9-26-21-11-17(27-28(18)21)16-2-1-8-25-12-16/h1-2,5-12,14,22H,3-4,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310238 (3-[7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphen...) Show SMILES CCNC(=O)c1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C26H24F2N4O3/c1-2-29-25(33)19-5-3-4-17(12-19)20-14-24-30-11-10-21(32(24)31-20)18-8-9-22(35-26(27)28)23(13-18)34-15-16-6-7-16/h3-5,8-14,16,26H,2,6-7,15H2,1H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Inhibition of BACE1 expressed in HEK293T cells co-transfected APP with NFEV mutation at proteolytic site by sAPP_NF cell based assay				Bioorg Med Chem Lett 22: 1408-14 (2012) Article DOI: 10.1016/j.bmcl.2011.12.034 BindingDB Entry DOI: 10.7270/Q24Q7VGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310245 (7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphenyl)...) Show SMILES COc1cc(OC)cc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C25H23F2N3O4/c1-31-18-9-17(10-19(12-18)32-2)20-13-24-28-8-7-21(30(24)29-20)16-5-6-22(34-25(26)27)23(11-16)33-14-15-3-4-15/h5-13,15,25H,3-4,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310213 (7-(3'-Cyclopentyloxy-4'-methoxyphenyl)-2-(2,5-dich...) Show SMILES COc1ccc(cc1OC1CCCC1)-c1ccnc2cc(nn12)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C24H21Cl2N3O2/c1-30-22-9-6-15(12-23(22)31-17-4-2-3-5-17)21-10-11-27-24-14-20(28-29(21)24)18-13-16(25)7-8-19(18)26/h6-14,17H,2-5H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310215 (7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphenyl)...) Show SMILES COc1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C24H21F2N3O3/c1-30-18-4-2-3-16(11-18)19-13-23-27-10-9-20(29(23)28-19)17-7-8-21(32-24(25)26)22(12-17)31-14-15-5-6-15/h2-4,7-13,15,24H,5-6,14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310211 (2-(3-Bromophenyl)-7-(3'-cyclopentyloxy-4'-methoxyp...) Show SMILES COc1ccc(cc1OC1CCCC1)-c1ccnc2cc(nn12)-c1cccc(Br)c1 Show InChI InChI=1S/C24H22BrN3O2/c1-29-22-10-9-17(14-23(22)30-19-7-2-3-8-19)21-11-12-26-24-15-20(27-28(21)24)16-5-4-6-18(25)13-16/h4-6,9-15,19H,2-3,7-8H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50023505 (2-Furan-2-yl-9-methoxy-[1,2,4]triazolo[1,5-c]quina...) Show SMILES COc1ccc2nc(N)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C14H11N5O2/c1-20-8-4-5-10-9(7-8)13-17-12(11-3-2-6-21-11)18-19(13)14(15)16-10/h2-7H,1H3,(H2,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of binding towards adenosine A1 receptor using [3H]-N-cyclohexyladenosine ([3H]-CHA) in rat whole brain membranes.				J Med Chem 31: 1014-20 (1988) BindingDB Entry DOI: 10.7270/Q2T43S4W
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310246 (5-[7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphen...) Show SMILES COc1ccc(cc1O)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C24H21F2N3O4/c1-31-20-6-4-15(10-19(20)30)17-12-23-27-9-8-18(29(23)28-17)16-5-7-21(33-24(25)26)22(11-16)32-13-14-2-3-14/h4-12,14,24,30H,2-3,13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310223 (2-(3-(allyloxy)phenyl)-7-(3-(cyclopropylmethoxy)-4...) Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)-c1ccnc2cc(nn12)-c1cccc(OCC=C)c1 Show InChI InChI=1S/C26H23F2N3O3/c1-2-12-32-20-5-3-4-18(13-20)21-15-25-29-11-10-22(31(25)30-21)19-8-9-23(34-26(27)28)24(14-19)33-16-17-6-7-17/h2-5,8-11,13-15,17,26H,1,6-7,12,16H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310229 (CHEMBL603230 | N-{3-[7-(3'-Cyclopropylmethoxy-4'-d...) Show SMILES CS(=O)(=O)CNc1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C25H24F2N4O4S/c1-36(32,33)15-29-19-4-2-3-17(11-19)20-13-24-28-10-9-21(31(24)30-20)18-7-8-22(35-25(26)27)23(12-18)34-14-16-5-6-16/h2-4,7-13,16,25,29H,5-6,14-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310220 (2-(3-Chlorophenyl)-7-(3'-cyclopropylmethoxy-4'-dif...) Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)-c1ccnc2cc(nn12)-c1cccc(Cl)c1 Show InChI InChI=1S/C23H18ClF2N3O2/c24-17-3-1-2-15(10-17)18-12-22-27-9-8-19(29(22)28-18)16-6-7-20(31-23(25)26)21(11-16)30-13-14-4-5-14/h1-3,6-12,14,23H,4-5,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310216 (3-[7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphen...) Show SMILES COC(=O)c1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C25H21F2N3O4/c1-32-24(31)18-4-2-3-16(11-18)19-13-23-28-10-9-20(30(23)29-19)17-7-8-21(34-25(26)27)22(12-17)33-14-15-5-6-15/h2-4,7-13,15,25H,5-6,14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50023496 (2-Furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl...) Show SMILES Nc1nc2ccccc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H9N5O/c14-13-15-9-5-2-1-4-8(9)12-16-11(17-18(12)13)10-6-3-7-19-10/h1-7H,(H2,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of binding towards adenosine A1 receptor using [3H]-N-cyclohexyladenosine ([3H]-CHA) in rat whole brain membranes.				J Med Chem 31: 1014-20 (1988) BindingDB Entry DOI: 10.7270/Q2T43S4W
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310241 (7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphenyl)...) Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)-c1ccnc2cc(nn12)-c1cccc(c1)C(F)F Show InChI InChI=1S/C24H19F4N3O2/c25-23(26)17-3-1-2-15(10-17)18-12-22-29-9-8-19(31(22)30-18)16-6-7-20(33-24(27)28)21(11-16)32-13-14-4-5-14/h1-3,6-12,14,23-24H,4-5,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310212 (7-(3'-Cyclopentyloxy-4'-methoxyphenyl)-2-(3-methox...) Show SMILES COc1cccc(c1)-c1cc2nccc(-c3ccc(OC)c(OC4CCCC4)c3)n2n1 Show InChI InChI=1S/C25H25N3O3/c1-29-20-9-5-6-17(14-20)21-16-25-26-13-12-22(28(25)27-21)18-10-11-23(30-2)24(15-18)31-19-7-3-4-8-19/h5-6,9-16,19H,3-4,7-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310228 (CHEMBL598049 | {3-[7-(3'-Cyclopropylmethoxy-4'-dif...) Show SMILES CNc1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C24H22F2N4O2/c1-27-18-4-2-3-16(11-18)19-13-23-28-10-9-20(30(23)29-19)17-7-8-21(32-24(25)26)22(12-17)31-14-15-5-6-15/h2-4,7-13,15,24,27H,5-6,14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310230 (3-[7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphen...) Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)-c1ccnc2cc(nn12)-c1cccc(NC#N)c1 Show InChI InChI=1S/C24H19F2N5O2/c25-24(26)33-21-7-6-17(11-22(21)32-13-15-4-5-15)20-8-9-28-23-12-19(30-31(20)23)16-2-1-3-18(10-16)29-14-27/h1-3,6-12,15,24,29H,4-5,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310236 (3-[7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphen...) Show SMILES CC(C)OC(=O)c1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C27H25F2N3O4/c1-16(2)35-26(33)20-5-3-4-18(12-20)21-14-25-30-11-10-22(32(25)31-21)19-8-9-23(36-27(28)29)24(13-19)34-15-17-6-7-17/h3-5,8-14,16-17,27H,6-7,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human PDE4D				Bioorg Med Chem Lett 20: 922-6 (2010) Article DOI: 10.1016/j.bmcl.2009.12.070 BindingDB Entry DOI: 10.7270/Q2SF2W9S
					More data for this Ligand-Target Pair

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