Compile Data Set for Download or QSAR

Found 142 hits with Last Name = 'keenan' and Initial = 'tp'   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50132351 (({4-[6-(2,6-Dichloro-phenyl)-8-(3-dimethylamino-pr...) Show SMILES CN(C)CCCn1c2nc(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(3.9,-7.22,;3.9,-5.68,;2.57,-4.91,;5.23,-4.91,;5.23,-3.37,;6.56,-2.59,;6.56,-1.05,;5.21,-.28,;3.88,-1.05,;2.55,-.29,;1.22,-1.06,;-.11,-.29,;-.11,1.25,;-1.44,2.01,;-2.78,1.23,;-2.77,-.31,;-1.44,-1.07,;-4.12,2,;-4.89,.67,;-3.35,3.34,;-5.45,2.77,;-5.45,4.31,;-6.99,4.32,;-5.86,5.8,;-4.12,5.09,;2.55,1.26,;3.88,2.03,;5.21,1.26,;6.54,2.03,;7.89,1.25,;9.22,2.02,;9.22,3.57,;7.89,4.33,;10.55,4.36,;11.88,3.57,;11.88,2.02,;10.55,1.25,;10.55,-.29,;7.89,-.28,;9.22,-1.05,)| Show InChI InChI=1S/C25H27Cl2N5O6P2/c1-31(2)11-4-12-32-23-16(13-19(24(32)33)22-20(26)5-3-6-21(22)27)14-28-25(30-23)29-17-7-9-18(10-8-17)39(34,35)15-40(36,37)38/h3,5-10,13-14H,4,11-12,15H2,1-2H3,(H,34,35)(H,28,29,30)(H2,36,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Src protein tryrosine kinase				Bioorg Med Chem Lett 13: 3071-4 (2003) BindingDB Entry DOI: 10.7270/Q21J995T
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM13930 ((2S)-N-tert-butyl-1-[(2R)-2-[(8S,11S)-8-(carbamoyl...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@@H](O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2 |r| Show InChI InChI=1S/C28H43N5O6/c1-28(2,3)32-27(38)22-7-4-5-13-33(22)17-23(34)20-15-18-9-11-19(12-10-18)39-14-6-8-25(36)30-21(16-24(29)35)26(37)31-20/h9-12,20-23,34H,4-8,13-17H2,1-3H3,(H2,29,35)(H,30,36)(H,31,37)(H,32,38)/t20-,21-,22-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	5.5	30
University of Pennsylvania					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 37: 215-8 (1994) Article DOI: 10.1021/jm00028a001 BindingDB Entry DOI: 10.7270/Q2DR2SNQ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM902 ((3R)-oxolan-3-yl N-[(2S,3S)-4-[(2S)-2-benzyl-4-[(2...) Show SMILES CC(C)C[C@]1(N=CC([C@@H](Cc2ccccc2)C(N)=O)C1=O)C1C=N[C@](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCOC2)(Cc2ccccc2)C1=O |r,c:5,24| Show InChI InChI=1S/C43H50N4O7/c1-28(2)22-43(38(49)34(25-46-43)33(40(44)51)20-29-12-6-3-7-13-29)35-26-45-42(39(35)50,23-31-16-10-5-11-17-31)24-37(48)36(21-30-14-8-4-9-15-30)47-41(52)54-32-18-19-53-27-32/h3-17,25-26,28,32-37,48H,18-24,27H2,1-2H3,(H2,44,51)(H,47,52)/t32-,33-,34?,35?,36+,37+,42+,43+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	5.5	30
University of Pennsylvania					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 37: 215-8 (1994) Article DOI: 10.1021/jm00028a001 BindingDB Entry DOI: 10.7270/Q2DR2SNQ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50132348 (({4-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-di...) Show SMILES Cn1c2nc(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(3.94,-2.74,;3.93,-1.2,;2.6,-.43,;1.27,-1.2,;-.06,-.43,;-1.39,-1.21,;-2.73,-.45,;-2.73,1.1,;-4.06,1.86,;-5.41,1.09,;-5.38,-.47,;-4.05,-1.22,;-6.74,1.86,;-7.53,.53,;-5.97,3.19,;-8.09,2.61,;-9.4,1.82,;-10.19,3.17,;-10.91,1.42,;-9.02,.34,;-.07,1.11,;1.27,1.88,;2.6,1.11,;3.93,1.88,;5.26,1.11,;6.59,1.88,;6.59,3.42,;5.26,4.19,;7.92,4.19,;9.26,3.42,;9.26,1.88,;7.92,1.11,;7.92,-.43,;5.26,-.43,;6.6,-1.2,)| Show InChI InChI=1S/C21H18Cl2N4O6P2/c1-27-19-12(9-15(20(27)28)18-16(22)3-2-4-17(18)23)10-24-21(26-19)25-13-5-7-14(8-6-13)34(29,30)11-35(31,32)33/h2-10H,11H2,1H3,(H,29,30)(H,24,25,26)(H2,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Src protein tryrosine kinase				Bioorg Med Chem Lett 13: 3071-4 (2003) BindingDB Entry DOI: 10.7270/Q21J995T
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50132322 (({2-[(2-{4-[4-Amino-5-(3-hydroxy-phenyl)-pyrrolo[2...) Show SMILES CN(CCOP(O)(=O)CP(O)(O)=O)CCc1ccc(cc1)-n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C24H29N5O7P2/c1-28(11-12-36-38(34,35)16-37(31,32)33)10-9-17-5-7-19(8-6-17)29-14-21(18-3-2-4-20(30)13-18)22-23(25)26-15-27-24(22)29/h2-8,13-15,30H,9-12,16H2,1H3,(H,34,35)(H2,25,26,27)(H2,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.				Bioorg Med Chem Lett 13: 3063-6 (2003) BindingDB Entry DOI: 10.7270/Q290235N
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM27216 ((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...) Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 2 (CDK2)				Bioorg Med Chem Lett 13: 3067-70 (2003) BindingDB Entry DOI: 10.7270/Q25B01V7
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50132554 ((S)-1-[(S)-2-(3,4,5-Trimethoxy-phenyl)-butyryl]-pi...) Show SMILES CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)c1cccc(OCC(O)=O)c1)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C36H43NO9/c1-5-28(26-21-31(42-2)34(44-4)32(22-26)43-3)35(40)37-19-10-9-16-29(37)36(41)46-30(18-17-24-12-7-6-8-13-24)25-14-11-15-27(20-25)45-23-33(38)39/h6-8,11-15,20-22,28-30H,5,9-10,16-19,23H2,1-4H3,(H,38,39)/t28-,29-,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Gene Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12				Bioorg Med Chem Lett 13: 3181-4 (2003) BindingDB Entry DOI: 10.7270/Q2BV7G0S
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50132550 ((S)-1-[(S)-2-(3,4,5-Trimethoxy-phenyl)-propionyl]-...) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC Show InChI InChI=1S/C37H45NO11/c1-23(26-20-32(45-4)35(47-6)33(21-26)46-5)36(41)38-17-8-7-12-28(38)37(42)49-29(25-10-9-11-27(19-25)48-22-34(39)40)15-13-24-14-16-30(43-2)31(18-24)44-3/h9-11,14,16,18-21,23,28-29H,7-8,12-13,15,17,22H2,1-6H3,(H,39,40)/t23-,28-,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Gene Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12				Bioorg Med Chem Lett 13: 3181-4 (2003) BindingDB Entry DOI: 10.7270/Q2BV7G0S
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50132541 ((S)-1-[(S)-2-(3,4,5-Trimethoxy-phenyl)-butyryl]-pi...) Show SMILES CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1cc(OC)c(OC)c(OC)c1 |r| Show InChI InChI=1S/C38H47NO11/c1-7-28(26-21-33(46-4)36(48-6)34(22-26)47-5)37(42)39-18-9-8-13-29(39)38(43)50-30(25-11-10-12-27(20-25)49-23-35(40)41)16-14-24-15-17-31(44-2)32(19-24)45-3/h10-12,15,17,19-22,28-30H,7-9,13-14,16,18,23H2,1-6H3,(H,40,41)/t28-,29-,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Gene Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12				Bioorg Med Chem Lett 13: 3181-4 (2003) BindingDB Entry DOI: 10.7270/Q2BV7G0S
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50132541 ((S)-1-[(S)-2-(3,4,5-Trimethoxy-phenyl)-butyryl]-pi...) Show SMILES CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1cc(OC)c(OC)c(OC)c1 |r| Show InChI InChI=1S/C38H47NO11/c1-7-28(26-21-33(46-4)36(48-6)34(22-26)47-5)37(42)39-18-9-8-13-29(39)38(43)50-30(25-11-10-12-27(20-25)49-23-35(40)41)16-14-24-15-17-31(44-2)32(19-24)45-3/h10-12,15,17,19-22,28-30H,7-9,13-14,16,18,23H2,1-6H3,(H,40,41)/t28-,29-,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Gene Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12				Bioorg Med Chem Lett 13: 3181-4 (2003) BindingDB Entry DOI: 10.7270/Q2BV7G0S
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM13931 ((2S)-N-[(2S,3R)-4-{[(8S,11S)-8-[(2R)-butan-2-yl]-7...) Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCNC1=O)cc2)NC[C@@H](O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C(C)C)N1CCCC1=O |r| Show InChI InChI=1S/C37H53N5O7/c1-5-24(4)33-36(47)38-17-7-19-49-28-15-11-26(12-16-28)21-30(35(46)41-33)39-22-31(44)29(20-25-9-13-27(43)14-10-25)40-37(48)34(23(2)3)42-18-6-8-32(42)45/h9-16,23-24,29-31,33-34,39,43-44H,5-8,17-22H2,1-4H3,(H,38,47)(H,40,48)(H,41,46)/t24?,29-,30-,31+,33-,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	5.5	30
University of Pennsylvania					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 37: 215-8 (1994) Article DOI: 10.1021/jm00028a001 BindingDB Entry DOI: 10.7270/Q2DR2SNQ
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50132558 ((E)-(12S,13R,14S,17R,21S,23S,24R,25R,27R)-17-Ethyl...) Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC([C@H](C)C[C@H]2OC)C(=O)C(=O)N2CCCCC2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC |c:3| Show InChI InChI=1S/C43H69NO11/c1-10-30-18-24(2)17-25(3)19-36(52-8)41-37(53-9)21-27(5)40(54-41)38(48)42(49)44-16-12-11-13-31(44)43(50)55-39(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)51-7/h18,20,25,27-33,35-37,39-41,45-46H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31?,32+,33-,35+,36-,37+,39+,40?,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Gene Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12				Bioorg Med Chem Lett 13: 3181-4 (2003) BindingDB Entry DOI: 10.7270/Q2BV7G0S
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50132542 ((S)-1-[(S)-2-(3,4,5-Trimethoxy-phenyl)-butyryl]-pi...) Show SMILES CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1cccnc1)c1cccc(OCC(O)=O)c1)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C35H42N2O9/c1-5-27(25-19-30(42-2)33(44-4)31(20-25)43-3)34(40)37-17-7-6-13-28(37)35(41)46-29(15-14-23-10-9-16-36-21-23)24-11-8-12-26(18-24)45-22-32(38)39/h8-12,16,18-21,27-29H,5-7,13-15,17,22H2,1-4H3,(H,38,39)/t27-,28-,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Gene Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12				Bioorg Med Chem Lett 13: 3181-4 (2003) BindingDB Entry DOI: 10.7270/Q2BV7G0S
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3071 (2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 38 | 2-ani...) Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.81,-2.74,;-6.81,-4.28,;-8.14,-5.05,;-9.48,-4.29,;-9.48,-2.75,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C20H14Cl2N4O/c1-26-18-12(11-23-20(25-18)24-13-6-3-2-4-7-13)10-14(19(26)27)17-15(21)8-5-9-16(17)22/h2-11H,1H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Src protein tryrosine kinase				Bioorg Med Chem Lett 13: 3071-4 (2003) BindingDB Entry DOI: 10.7270/Q21J995T
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50221656 (CHEMBL3706663) Show SMILES Nc1ncnc2n(nc(-c3cccc(O)c3)c12)-c1cccc(c1)P(O)(=O)CC(O)=O Show InChI InChI=1S/C19H16N5O5P/c20-18-16-17(11-3-1-5-13(25)7-11)23-24(19(16)22-10-21-18)12-4-2-6-14(8-12)30(28,29)9-15(26)27/h1-8,10,25H,9H2,(H,26,27)(H,28,29)(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.				Bioorg Med Chem Lett 13: 3063-6 (2003) BindingDB Entry DOI: 10.7270/Q290235N
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50132560 ((S)-1-((S)-2-Benzo[1,3]dioxol-5-yl-butyryl)-piperi...) Show SMILES CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1ccc2OCOc2c1 Show InChI InChI=1S/C36H41NO10/c1-4-27(24-13-16-31-33(20-24)46-22-45-31)35(40)37-17-6-5-10-28(37)36(41)47-29(25-8-7-9-26(19-25)44-21-34(38)39)14-11-23-12-15-30(42-2)32(18-23)43-3/h7-9,12-13,15-16,18-20,27-29H,4-6,10-11,14,17,21-22H2,1-3H3,(H,38,39)/t27-,28-,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Gene Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12				Bioorg Med Chem Lett 13: 3181-4 (2003) BindingDB Entry DOI: 10.7270/Q2BV7G0S
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50132324 (3-{4-Amino-7-[4-(2-hydroxy-ethyl)-phenyl]-7H-pyrro...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)-c1ccc(CCO)cc1 Show InChI InChI=1S/C20H18N4O2/c21-19-18-17(14-2-1-3-16(26)10-14)11-24(20(18)23-12-22-19)15-6-4-13(5-7-15)8-9-25/h1-7,10-12,25-26H,8-9H2,(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.				Bioorg Med Chem Lett 13: 3063-6 (2003) BindingDB Entry DOI: 10.7270/Q290235N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50132339 (3-[4-Amino-7-(4-{2-[(2-hydroxy-ethyl)-methyl-amino...) Show SMILES CN(CCO)CCc1ccc(cc1)-n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C23H25N5O2/c1-27(11-12-29)10-9-16-5-7-18(8-6-16)28-14-20(17-3-2-4-19(30)13-17)21-22(24)25-15-26-23(21)28/h2-8,13-15,29-30H,9-12H2,1H3,(H2,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.				Bioorg Med Chem Lett 13: 3063-6 (2003) BindingDB Entry DOI: 10.7270/Q290235N
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50132544 ((S)-1-((S)-2-Phenyl-butyryl)-piperidine-2-carboxyl...) Show SMILES CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1ccccc1 Show InChI InChI=1S/C35H41NO8/c1-4-28(25-11-6-5-7-12-25)34(39)36-20-9-8-15-29(36)35(40)44-30(26-13-10-14-27(22-26)43-23-33(37)38)18-16-24-17-19-31(41-2)32(21-24)42-3/h5-7,10-14,17,19,21-22,28-30H,4,8-9,15-16,18,20,23H2,1-3H3,(H,37,38)/t28-,29-,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Gene Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12				Bioorg Med Chem Lett 13: 3181-4 (2003) BindingDB Entry DOI: 10.7270/Q2BV7G0S
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50132544 ((S)-1-((S)-2-Phenyl-butyryl)-piperidine-2-carboxyl...) Show SMILES CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1ccccc1 Show InChI InChI=1S/C35H41NO8/c1-4-28(25-11-6-5-7-12-25)34(39)36-20-9-8-15-29(36)35(40)44-30(26-13-10-14-27(22-26)43-23-33(37)38)18-16-24-17-19-31(41-2)32(21-24)42-3/h5-7,10-14,17,19,21-22,28-30H,4,8-9,15-16,18,20,23H2,1-3H3,(H,37,38)/t28-,29-,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Gene Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12				Bioorg Med Chem Lett 13: 3181-4 (2003) BindingDB Entry DOI: 10.7270/Q2BV7G0S
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50451556 (CHEMBL3084838) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)P(O)(=O)CP(O)(O)=O)c2ncn(C3CCCC3)c2n1 |wU:1.0,wD:4.7,(20.04,-12.53,;18.7,-11.76,;17.37,-12.53,;16.03,-11.76,;16.03,-10.22,;17.37,-9.45,;18.7,-10.22,;14.7,-9.45,;13.37,-10.22,;13.37,-11.76,;12.03,-12.53,;12.03,-14.07,;10.7,-14.84,;10.7,-16.38,;9.37,-17.15,;8.03,-16.38,;8.03,-14.84,;9.37,-14.07,;6.7,-17.15,;5.93,-15.82,;7.47,-18.48,;5.37,-17.92,;4.03,-17.15,;3.26,-18.48,;4.8,-15.82,;2.7,-16.38,;10.7,-11.76,;9.24,-12.24,;8.33,-10.99,;9.24,-9.74,;8.76,-8.28,;7.3,-7.8,;7.3,-6.26,;8.76,-5.79,;9.66,-7.03,;10.7,-10.22,;12.03,-9.45,)| Show InChI InChI=1S/C23H33N7O5P2/c24-15-5-7-17(8-6-15)27-23-28-21(20-22(29-23)30(13-25-20)18-3-1-2-4-18)26-16-9-11-19(12-10-16)36(31,32)14-37(33,34)35/h9-13,15,17-18H,1-8,14,24H2,(H,31,32)(H2,33,34,35)(H2,26,27,28,29)/t15-,17-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Src-mediated dentine resorption in rabbit-osteoclast assay				Bioorg Med Chem Lett 13: 3067-70 (2003) BindingDB Entry DOI: 10.7270/Q25B01V7
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50132556 ((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...) Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 Show InChI InChI=1S/C32H41NO9/c1-6-32(2,3)29(36)30(37)33-17-8-7-12-24(33)31(38)42-25(22-10-9-11-23(19-22)41-20-28(34)35)15-13-21-14-16-26(39-4)27(18-21)40-5/h9-11,14,16,18-19,24-25H,6-8,12-13,15,17,20H2,1-5H3,(H,34,35)/t24-,25+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Gene Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12				Bioorg Med Chem Lett 13: 3181-4 (2003) BindingDB Entry DOI: 10.7270/Q2BV7G0S
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50132334 (CHEMBL104215 | [(2-{4-[4-Amino-5-(3-hydroxy-phenyl...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)-c1ccc(CCOP(O)(=O)CP(O)(O)=O)cc1 Show InChI InChI=1S/C21H22N4O7P2/c22-20-19-18(15-2-1-3-17(26)10-15)11-25(21(19)24-12-23-20)16-6-4-14(5-7-16)8-9-32-34(30,31)13-33(27,28)29/h1-7,10-12,26H,8-9,13H2,(H,30,31)(H2,22,23,24)(H2,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.				Bioorg Med Chem Lett 13: 3063-6 (2003) BindingDB Entry DOI: 10.7270/Q290235N
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50132551 (1-(1-Ethyl-propylcarbamoyl)-piperidine-2-carboxyli...) Show SMILES CCC(CC)NC(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 Show InChI InChI=1S/C31H42N2O8/c1-5-23(6-2)32-31(37)33-17-8-7-12-25(33)30(36)41-26(22-10-9-11-24(19-22)40-20-29(34)35)15-13-21-14-16-27(38-3)28(18-21)39-4/h9-11,14,16,18-19,23,25-26H,5-8,12-13,15,17,20H2,1-4H3,(H,32,37)(H,34,35)/t25-,26+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Gene Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12				Bioorg Med Chem Lett 13: 3181-4 (2003) BindingDB Entry DOI: 10.7270/Q2BV7G0S
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50132352 (({3-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-di...) Show SMILES Cn1c2nc(Nc3cccc(c3)P(O)(=O)CP(O)(O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(2.81,-5.78,;2.81,-4.24,;1.47,-3.47,;.14,-4.24,;-1.19,-3.48,;-2.53,-4.26,;-3.87,-3.49,;-5.19,-4.26,;-6.52,-3.52,;-6.54,-1.96,;-5.21,-1.18,;-3.87,-1.95,;-5.21,.37,;-6.75,.39,;-3.66,.37,;-5.21,1.91,;-6.55,2.68,;-5.78,4.01,;-7.64,3.78,;-7.66,1.61,;-1.21,-1.93,;.14,-1.15,;1.47,-1.93,;2.81,-1.15,;4.15,-1.94,;5.48,-1.17,;6.81,-1.94,;6.81,-3.48,;8.14,-1.17,;8.14,.39,;6.81,1.16,;5.48,.37,;4.15,1.15,;4.15,-3.47,;5.48,-4.24,)| Show InChI InChI=1S/C21H18Cl2N4O6P2/c1-27-19-12(8-15(20(27)28)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-13-4-2-5-14(9-13)34(29,30)11-35(31,32)33/h2-10H,11H2,1H3,(H,29,30)(H,24,25,26)(H2,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Src protein tryrosine kinase				Bioorg Med Chem Lett 13: 3071-4 (2003) BindingDB Entry DOI: 10.7270/Q21J995T
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372174 (US10239882, Example 13) Show SMILES Cc1cc(C2CCOCC2)n2nc(NCc3cc(Cl)ccc3F)nc2n1 Show InChI InChI=1S/C18H19ClFN5O/c1-11-8-16(12-4-6-26-7-5-12)25-18(22-11)23-17(24-25)21-10-13-9-14(19)2-3-15(13)20/h2-3,8-9,12H,4-7,10H2,1H3,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372175 (US10239882, Example 15) Show SMILES COc1ccc(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)c(F)c1 Show InChI InChI=1S/C19H22FN5O2/c1-12-9-17(13-5-7-27-8-6-13)25-19(22-12)23-18(24-25)21-11-14-3-4-15(26-2)10-16(14)20/h3-4,9-10,13H,5-8,11H2,1-2H3,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372176 (US10239882, Example 17) Show SMILES Cc1cc(C2CCOCC2)n2nc(NCc3cnn(c3)-c3ccccc3)nc2n1 Show InChI InChI=1S/C21H23N7O/c1-15-11-19(17-7-9-29-10-8-17)28-21(24-15)25-20(26-28)22-12-16-13-23-27(14-16)18-5-3-2-4-6-18/h2-6,11,13-14,17H,7-10,12H2,1H3,(H,22,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372177 (US10239882, Example 19) Show SMILES COc1ccc(CNc2nc3nc(C)cc(C4CCN(CC4)C(C)=O)n3n2)cc1C(F)F Show InChI InChI=1S/C22H26F2N6O2/c1-13-10-18(16-6-8-29(9-7-16)14(2)31)30-22(26-13)27-21(28-30)25-12-15-4-5-19(32-3)17(11-15)20(23)24/h4-5,10-11,16,20H,6-9,12H2,1-3H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372178 (US10239882, Example 20) Show SMILES CC(=O)N1CCC(CC1)c1cc(C)nc2nc(NCc3cccc(c3)C(F)F)nn12 Show InChI InChI=1S/C21H24F2N6O/c1-13-10-18(16-6-8-28(9-7-16)14(2)30)29-21(25-13)26-20(27-29)24-12-15-4-3-5-17(11-15)19(22)23/h3-5,10-11,16,19H,6-9,12H2,1-2H3,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372179 (US10239882, Example 21) Show SMILES COc1ccc(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)cc1Cl Show InChI InChI=1S/C19H22ClN5O2/c1-12-9-16(14-5-7-27-8-6-14)25-19(22-12)23-18(24-25)21-11-13-3-4-17(26-2)15(20)10-13/h3-4,9-10,14H,5-8,11H2,1-2H3,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372180 (US10239882, Example 23) Show SMILES Cc1cc(C2CCOCC2)n2nc(NCc3cccc(c3)C(F)F)nc2n1 Show InChI InChI=1S/C19H21F2N5O/c1-12-9-16(14-5-7-27-8-6-14)26-19(23-12)24-18(25-26)22-11-13-3-2-4-15(10-13)17(20)21/h2-4,9-10,14,17H,5-8,11H2,1H3,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372181 (US10239882, Example 25) Show SMILES COc1ccc(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)cc1C(F)F Show InChI InChI=1S/C20H23F2N5O2/c1-12-9-16(14-5-7-29-8-6-14)27-20(24-12)25-19(26-27)23-11-13-3-4-17(28-2)15(10-13)18(21)22/h3-4,9-10,14,18H,5-8,11H2,1-2H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372182 (US10239882, Example 29) Show SMILES COc1ccc(CNc2nc3nc(cc(C4CCOCC4)n3n2)C(F)F)cc1 Show InChI InChI=1S/C19H21F2N5O2/c1-27-14-4-2-12(3-5-14)11-22-18-24-19-23-15(17(20)21)10-16(26(19)25-18)13-6-8-28-9-7-13/h2-5,10,13,17H,6-9,11H2,1H3,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372183 (US10239882, Example 30) Show SMILES COc1ccc(CNc2nc3nc(CF)cc(C4CCOCC4)n3n2)cc1 Show InChI InChI=1S/C19H22FN5O2/c1-26-16-4-2-13(3-5-16)12-21-18-23-19-22-15(11-20)10-17(25(19)24-18)14-6-8-27-9-7-14/h2-5,10,14H,6-9,11-12H2,1H3,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372184 (US10239882, Example 31) Show SMILES COc1cccc(c1)-n1cc(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)cn1 Show InChI InChI=1S/C22H25N7O2/c1-15-10-20(17-6-8-31-9-7-17)29-22(25-15)26-21(27-29)23-12-16-13-24-28(14-16)18-4-3-5-19(11-18)30-2/h3-5,10-11,13-14,17H,6-9,12H2,1-2H3,(H,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372185 (US10239882, Example 36) Show SMILES Cc1cc(C2CCOCC2)n2nc(NCc3cnn(c3)-c3ccccc3C)nc2n1 Show InChI InChI=1S/C22H25N7O/c1-15-5-3-4-6-19(15)28-14-17(13-24-28)12-23-21-26-22-25-16(2)11-20(29(22)27-21)18-7-9-30-10-8-18/h3-6,11,13-14,18H,7-10,12H2,1-2H3,(H,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372186 (US10239882, Example 37) Show SMILES Cc1cc(C2CCOCC2)n2nc(NCc3cc(no3)-c3ccccc3)nc2n1 Show InChI InChI=1S/C21H22N6O2/c1-14-11-19(16-7-9-28-10-8-16)27-21(23-14)24-20(25-27)22-13-17-12-18(26-29-17)15-5-3-2-4-6-15/h2-6,11-12,16H,7-10,13H2,1H3,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372187 (US10239882, Example 38) Show SMILES COc1ccc(CNc2nc3nc(C)cc(C4CCCOC4)n3n2)cc1 Show InChI InChI=1S/C19H23N5O2/c1-13-10-17(15-4-3-9-26-12-15)24-19(21-13)22-18(23-24)20-11-14-5-7-16(25-2)8-6-14/h5-8,10,15H,3-4,9,11-12H2,1-2H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372188 (US10239882, Example 39) Show SMILES Cc1cc(C2CCOCC2)n2nc(NCc3cccc(Br)c3)nc2n1 Show InChI InChI=1S/C18H20BrN5O/c1-12-9-16(14-5-7-25-8-6-14)24-18(21-12)22-17(23-24)20-11-13-3-2-4-15(19)10-13/h2-4,9-10,14H,5-8,11H2,1H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372189 (US10239882, Example 40) Show SMILES Cc1cc(C2CCOCC2)n2nc(NCc3cccc(Cl)c3)nc2n1 Show InChI InChI=1S/C18H20ClN5O/c1-12-9-16(14-5-7-25-8-6-14)24-18(21-12)22-17(23-24)20-11-13-3-2-4-15(19)10-13/h2-4,9-10,14H,5-8,11H2,1H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372190 (US10239882, Example 41) Show SMILES Cc1cc(C2CCOCC2)n2nc(NCc3cccc(c3)C(F)(F)F)nc2n1 Show InChI InChI=1S/C19H20F3N5O/c1-12-9-16(14-5-7-28-8-6-14)27-18(24-12)25-17(26-27)23-11-13-3-2-4-15(10-13)19(20,21)22/h2-4,9-10,14H,5-8,11H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372191 (US10239882, Example 42) Show SMILES Cc1cc(C2CCOCC2)n2nc(NCc3ccc4OCCc4c3)nc2n1 Show InChI InChI=1S/C20H23N5O2/c1-13-10-17(15-4-7-26-8-5-15)25-20(22-13)23-19(24-25)21-12-14-2-3-18-16(11-14)6-9-27-18/h2-3,10-11,15H,4-9,12H2,1H3,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372192 (US10239882, Example 46) Show SMILES Cc1nn(cc1CNc1nc2nc(C)cc(C3CCOCC3)n2n1)-c1ccccc1 Show InChI InChI=1S/C22H25N7O/c1-15-12-20(17-8-10-30-11-9-17)29-22(24-15)25-21(27-29)23-13-18-14-28(26-16(18)2)19-6-4-3-5-7-19/h3-7,12,14,17H,8-11,13H2,1-2H3,(H,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372193 (US10239882, Example 50) Show SMILES COc1cc(F)c(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)c(F)c1 Show InChI InChI=1S/C19H21F2N5O2/c1-11-7-17(12-3-5-28-6-4-12)26-19(23-11)24-18(25-26)22-10-14-15(20)8-13(27-2)9-16(14)21/h7-9,12H,3-6,10H2,1-2H3,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372194 (US10239882, Example 52) Show SMILES Cc1cc(C2CCOCC2)n2nc(NCc3ccnc(c3)C(F)F)nc2n1 Show InChI InChI=1S/C18H20F2N6O/c1-11-8-15(13-3-6-27-7-4-13)26-18(23-11)24-17(25-26)22-10-12-2-5-21-14(9-12)16(19)20/h2,5,8-9,13,16H,3-4,6-7,10H2,1H3,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372195 (US10239882, Example 53) Show SMILES Cc1cc(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)cc(C)n1 Show InChI InChI=1S/C19H24N6O/c1-12-8-15(9-13(2)21-12)11-20-18-23-19-22-14(3)10-17(25(19)24-18)16-4-6-26-7-5-16/h8-10,16H,4-7,11H2,1-3H3,(H,20,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372196 (US10239882, Example 54) Show SMILES Cc1cncc(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)c1 Show InChI InChI=1S/C18H22N6O/c1-12-7-14(10-19-9-12)11-20-17-22-18-21-13(2)8-16(24(18)23-17)15-3-5-25-6-4-15/h7-10,15H,3-6,11H2,1-2H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372197 (US10239882, Example 55) Show SMILES COc1ccc(CNc2nc3nc(C)cc(n3n2)C2(F)CCOCC2)cc1 Show InChI InChI=1S/C19H22FN5O2/c1-13-11-16(19(20)7-9-27-10-8-19)25-18(22-13)23-17(24-25)21-12-14-3-5-15(26-2)6-4-14/h3-6,11H,7-10,12H2,1-2H3,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM372198 (US10239882, Example 59) Show SMILES Cc1cc(C2CCOCC2)n2nc(NCc3ccnc(c3)C(F)(F)F)nc2n1 Show InChI InChI=1S/C18H19F3N6O/c1-11-8-14(13-3-6-28-7-4-13)27-17(24-11)25-16(26-27)23-10-12-2-5-22-15(9-12)18(19,20)21/h2,5,8-9,13H,3-4,6-7,10H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate b...				J Med Chem 51: 2795-806 (2008) BindingDB Entry DOI: 10.7270/Q24J0HFD
					More data for this Ligand-Target Pair

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