Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'sappanimuthu' and Initial = 't'   

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))	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.011 BindingDB Entry DOI: 10.7270/Q2N58R28
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50558593 (CHEMBL4747406) Show SMILES Cc1sc(nc1C(=O)NC1CCC(O)CC1)-c1ccc(OC(F)F)c2oc3ccc(NS(C)(=O)=O)cc3c12 |(50.66,-6.46,;51.56,-7.7,;51.09,-9.17,;52.35,-10.07,;53.59,-9.16,;53.11,-7.69,;54.01,-6.45,;53.38,-5.04,;55.54,-6.61,;56.44,-5.36,;55.81,-3.96,;56.72,-2.71,;58.25,-2.87,;59.15,-1.62,;58.87,-4.27,;57.97,-5.52,;52.36,-11.61,;51.02,-12.39,;51.02,-13.94,;52.36,-14.71,;52.37,-16.26,;51.04,-17.03,;51.04,-18.57,;49.7,-16.26,;53.69,-13.93,;55.17,-14.41,;56.08,-13.15,;57.61,-12.99,;58.23,-11.58,;57.32,-10.33,;57.94,-8.92,;59.46,-8.75,;60.08,-7.35,;60.95,-9.15,;59.86,-10.24,;55.79,-10.5,;55.17,-11.91,;53.69,-12.38,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.011 BindingDB Entry DOI: 10.7270/Q2N58R28
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50558594 (CHEMBL4744412) Show SMILES CS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(-c4nc(cs4)C(=O)NC4CCC(O)CC4)c3c2c1 |(15.21,-7.74,;14.59,-9.14,;16.07,-9.54,;14.98,-10.62,;13.06,-9.31,;12.44,-10.72,;13.35,-11.96,;12.73,-13.37,;11.2,-13.54,;10.29,-14.79,;8.82,-14.32,;7.49,-15.1,;7.49,-16.64,;6.16,-17.41,;6.16,-18.95,;4.83,-16.65,;6.15,-14.33,;6.15,-12.78,;7.48,-12,;7.47,-10.46,;8.71,-9.55,;8.23,-8.08,;6.69,-8.09,;6.22,-9.56,;9.14,-6.84,;8.51,-5.43,;10.67,-6.99,;11.57,-5.75,;10.94,-4.34,;11.84,-3.1,;13.37,-3.25,;14.27,-2.01,;14,-4.66,;13.1,-5.9,;8.82,-12.77,;10.29,-12.29,;10.91,-10.89,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.011 BindingDB Entry DOI: 10.7270/Q2N58R28
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50558595 (CHEMBL4764245) Show SMILES CC(=O)Nc1ccc2oc3c(OC(F)F)ccc(-c4nc(cs4)C(=O)NC4CCC(O)CC4)c3c2c1 |(67.92,-47.27,;67.3,-48.68,;68.21,-49.92,;65.78,-48.84,;65.16,-50.25,;66.07,-51.5,;65.45,-52.91,;63.91,-53.07,;63,-54.33,;61.53,-53.85,;60.2,-54.63,;60.2,-56.17,;58.87,-56.95,;58.88,-58.49,;57.54,-56.18,;58.86,-53.86,;58.86,-52.31,;60.2,-51.53,;60.19,-49.99,;61.43,-49.08,;60.95,-47.61,;59.4,-47.62,;58.93,-49.09,;61.85,-46.37,;61.22,-44.96,;63.38,-46.53,;64.28,-45.28,;63.65,-43.88,;64.55,-42.63,;66.08,-42.79,;66.99,-41.54,;66.71,-44.19,;65.81,-45.44,;61.53,-52.3,;63,-51.83,;63.63,-50.42,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.011 BindingDB Entry DOI: 10.7270/Q2N58R28
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50558598 (CHEMBL4756900) Show SMILES COc1ccc(-c2nc(C(=O)NC3CCC(O)CC3)c(C)s2)c2c3ccccc3oc12 |(44.37,-16.57,;43.04,-15.79,;43.03,-14.25,;41.69,-13.48,;41.7,-11.93,;43.03,-11.15,;43.02,-9.61,;44.26,-8.7,;43.78,-7.24,;44.68,-5.99,;44.05,-4.59,;46.21,-6.15,;47.11,-4.9,;46.49,-3.5,;47.39,-2.25,;48.92,-2.41,;49.82,-1.16,;49.55,-3.81,;48.64,-5.06,;42.24,-7.24,;41.33,-6,;41.77,-8.71,;44.36,-11.92,;45.84,-11.45,;46.46,-10.04,;47.99,-9.87,;48.9,-11.12,;48.28,-12.53,;46.75,-12.69,;45.84,-13.95,;44.36,-13.47,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.011 BindingDB Entry DOI: 10.7270/Q2N58R28
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50558600 (CHEMBL4744894) Show SMILES COc1ccc(-c2nc(cs2)C(=O)Nc2c(Cl)cncc2Cl)c2c3ccccc3oc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.011 BindingDB Entry DOI: 10.7270/Q2N58R28
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50558599 (CHEMBL4799096) Show SMILES COc1ccc(-c2nc(cs2)C(=O)NC2CCC(O)CC2)c2c3ccccc3oc12 |(61.11,-56.78,;59.77,-56.01,;59.77,-54.47,;58.43,-53.7,;58.43,-52.15,;59.77,-51.37,;59.76,-49.84,;61,-48.93,;60.52,-47.46,;58.97,-47.47,;58.5,-48.94,;61.42,-46.21,;60.79,-44.8,;62.96,-46.36,;63.86,-45.12,;63.23,-43.72,;64.13,-42.47,;65.66,-42.63,;66.56,-41.38,;66.29,-44.03,;65.39,-45.27,;61.1,-52.14,;62.57,-51.66,;63.19,-50.26,;64.72,-50.09,;65.63,-51.34,;65.01,-52.75,;63.48,-52.91,;62.57,-54.17,;61.1,-53.69,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.011 BindingDB Entry DOI: 10.7270/Q2N58R28
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50558596 (CHEMBL4791975) Show SMILES OC1CCC(CC1)NC(=O)c1csc(n1)-c1ccc(OC(F)F)c2oc3ccccc3c12 |(67.36,-20.14,;66.46,-21.38,;64.93,-21.23,;64.03,-22.47,;64.66,-23.87,;66.19,-24.03,;67.09,-22.79,;63.76,-25.12,;62.23,-24.96,;61.6,-23.56,;61.33,-26.21,;59.78,-26.21,;59.31,-27.69,;60.57,-28.59,;61.81,-27.68,;60.58,-30.13,;59.24,-30.9,;59.24,-32.45,;60.58,-33.22,;60.58,-34.77,;59.25,-35.54,;59.26,-37.08,;57.92,-34.78,;61.91,-32.45,;63.38,-32.92,;64.29,-31.66,;65.82,-31.5,;66.45,-30.09,;65.54,-28.85,;64.01,-29.02,;63.38,-30.42,;61.91,-30.9,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.011 BindingDB Entry DOI: 10.7270/Q2N58R28
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50248919 ((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...) Show SMILES CCOc1cc(ccc1OC)[C@@H](CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O |r| Show InChI InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.011 BindingDB Entry DOI: 10.7270/Q2N58R28
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50558597 (CHEMBL4787884) Show SMILES FC(F)Oc1ccc(-c2nc(cs2)C(=O)Nc2c(Cl)cncc2Cl)c2c3ccccc3oc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.011 BindingDB Entry DOI: 10.7270/Q2N58R28
					More data for this Ligand-Target Pair