Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'lapa' and Initial = 'gb'   

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
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Health Sciences Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 dopamine transporter binding in rat striatal membrane				Bioorg Med Chem Lett 15: 4915-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.028 BindingDB Entry DOI: 10.7270/Q2H41S7P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50173859 (CHEMBL370627 | Diphenylmethoxypiperidine derivativ...) Show SMILES CCCCN1CCC(CC1)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H27Cl2NO/c1-2-3-14-25-15-12-21(13-16-25)26-22(17-4-8-19(23)9-5-17)18-6-10-20(24)11-7-18/h4-11,21-22H,2-3,12-16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.5	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Health Sciences Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 dopamine transporter binding in rat striatal membrane				Bioorg Med Chem Lett 15: 4915-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.028 BindingDB Entry DOI: 10.7270/Q2H41S7P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50173856 (4-[bis(4-fluorophenyl)methoxy]-1-methylpiperidine ...) Show SMILES CN1CCC(CC1)OC(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C19H21F2NO/c1-22-12-10-18(11-13-22)23-19(14-2-6-16(20)7-3-14)15-4-8-17(21)9-5-15/h2-9,18-19H,10-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22.1	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Health Sciences Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 dopamine transporter binding in rat striatal membrane				Bioorg Med Chem Lett 15: 4915-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.028 BindingDB Entry DOI: 10.7270/Q2H41S7P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50173854 ((RS )-(+/-)-4-(Bis-(4-chlorophenyl)methoxy)-1-meth...) Show SMILES CN1CCC(CC1)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H21Cl2NO/c1-22-12-10-18(11-13-22)23-19(14-2-6-16(20)7-3-14)15-4-8-17(21)9-5-15/h2-9,18-19H,10-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Health Sciences Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 dopamine transporter binding in rat striatal membrane				Bioorg Med Chem Lett 15: 4915-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.028 BindingDB Entry DOI: 10.7270/Q2H41S7P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50173853 (CHEMBL381247 | Diphenylmethoxypiperidine derivativ...) Show SMILES Fc1ccc(CN2CCC(CC2)OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C25H24Cl2FNO/c26-21-7-3-19(4-8-21)25(20-5-9-22(27)10-6-20)30-24-13-15-29(16-14-24)17-18-1-11-23(28)12-2-18/h1-12,24-25H,13-17H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50.6	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Health Sciences Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 dopamine transporter binding in rat striatal membrane				Bioorg Med Chem Lett 15: 4915-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.028 BindingDB Entry DOI: 10.7270/Q2H41S7P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Health Sciences Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 dopamine transporter binding in rat striatal membrane				Bioorg Med Chem Lett 15: 4915-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.028 BindingDB Entry DOI: 10.7270/Q2H41S7P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50173860 (4-[(4-chlorophenyl)(phenyl)methoxy]-1-methylpiperi...) Show SMILES CN1CCC(CC1)OC(c1ccccc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H22ClNO/c1-21-13-11-18(12-14-21)22-19(15-5-3-2-4-6-15)16-7-9-17(20)10-8-16/h2-10,18-19H,11-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Health Sciences Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 dopamine transporter binding in rat striatal membrane				Bioorg Med Chem Lett 15: 4915-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.028 BindingDB Entry DOI: 10.7270/Q2H41S7P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50173861 (4-[1-(4-fluorophenyl)ethoxy]-1-methylpiperidine | ...) Show SMILES CC(OC1CCN(C)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C14H20FNO/c1-11(12-3-5-13(15)6-4-12)17-14-7-9-16(2)10-8-14/h3-6,11,14H,7-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	264	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Health Sciences Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 dopamine transporter binding in rat striatal membrane				Bioorg Med Chem Lett 15: 4915-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.028 BindingDB Entry DOI: 10.7270/Q2H41S7P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50173855 (4-[(4-fluorophenyl)(phenyl)methoxy]-1-methylpiperi...) Show SMILES CN1CCC(CC1)OC(c1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C19H22FNO/c1-21-13-11-18(12-14-21)22-19(15-5-3-2-4-6-15)16-7-9-17(20)10-8-16/h2-10,18-19H,11-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	277	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Health Sciences Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 dopamine transporter binding in rat striatal membrane				Bioorg Med Chem Lett 15: 4915-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.028 BindingDB Entry DOI: 10.7270/Q2H41S7P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50173858 (1-methyl-4-[(3-methylphenyl)(phenyl)methoxy]piperi...) Show SMILES CN1CCC(CC1)OC(c1ccccc1)c1cccc(C)c1 Show InChI InChI=1S/C20H25NO/c1-16-7-6-10-18(15-16)20(17-8-4-3-5-9-17)22-19-11-13-21(2)14-12-19/h3-10,15,19-20H,11-14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	293	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Health Sciences Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 dopamine transporter binding in rat striatal membrane				Bioorg Med Chem Lett 15: 4915-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.028 BindingDB Entry DOI: 10.7270/Q2H41S7P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50241333 (4-(benzhydryloxy)-1-methylpiperidine | CHEMBL1492 ...) Show SMILES CN1CCC(CC1)OC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Health Sciences Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 dopamine transporter binding in rat striatal membrane				Bioorg Med Chem Lett 15: 4915-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.028 BindingDB Entry DOI: 10.7270/Q2H41S7P
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50012948 (CHEMBL3261358) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C37H65N9O13/c1-18(2)16-24(32(53)41-23(10-7-8-14-38)36(57)46-15-9-11-26(46)34(55)45-29(21(6)48)37(58)59)42-33(54)25(17-47)43-35(56)28(19(3)4)44-30(51)20(5)40-31(52)22(39)12-13-27(49)50/h18-26,28-29,47-48H,7-17,38-39H2,1-6H3,(H,40,52)(H,41,53)(H,42,54)(H,43,56)(H,44,51)(H,45,55)(H,49,50)(H,58,59)/t20-,21+,22-,23-,24-,25-,26-,28-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Innsbruck Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant PKCepsilon (unknown origin)-MBP-tagged RACK2 interaction after 1 hr by ELISA-based assay relative to untreated control				J Med Chem 57: 3235-46 (2014) Article DOI: 10.1021/jm401605c BindingDB Entry DOI: 10.7270/Q2028T25
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50012920 (CHEMBL3261356) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C79H149N37O20/c1-39(2)37-52(112-67(130)53(38-117)113-69(132)56(40(3)4)114-58(121)41(5)103-59(122)43(81)26-27-55(119)120)66(129)110-50(17-7-8-28-80)71(134)116-36-16-25-54(116)68(131)115-57(42(6)118)70(133)109-49(23-14-34-101-78(92)93)64(127)107-47(21-12-32-99-76(88)89)62(125)105-45(19-10-30-97-74(84)85)60(123)104-44(18-9-29-96-73(82)83)61(124)106-46(20-11-31-98-75(86)87)63(126)108-48(22-13-33-100-77(90)91)65(128)111-51(72(135)136)24-15-35-102-79(94)95/h39-54,56-57,117-118H,7-38,80-81H2,1-6H3,(H,103,122)(H,104,123)(H,105,125)(H,106,124)(H,107,127)(H,108,126)(H,109,133)(H,110,129)(H,111,128)(H,112,130)(H,113,132)(H,114,121)(H,115,131)(H,119,120)(H,135,136)(H4,82,83,96)(H4,84,85,97)(H4,86,87,98)(H4,88,89,99)(H4,90,91,100)(H4,92,93,101)(H4,94,95,102)/t41-,42+,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,56-,57-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Innsbruck Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant PKCepsilon (unknown origin)-MBP-tagged RACK2 interaction after 1 hr by ELISA-based assay relative to untreated control				J Med Chem 57: 3235-46 (2014) Article DOI: 10.1021/jm401605c BindingDB Entry DOI: 10.7270/Q2028T25
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50012919 (CHEMBL3261343) Show SMILES CC(=O)c1cccc(NC(=O)c2sc3nc4cc5OCCOc5cc4cc3c2N)c1 Show InChI InChI=1S/C22H17N3O4S/c1-11(26)12-3-2-4-14(7-12)24-21(27)20-19(23)15-8-13-9-17-18(29-6-5-28-17)10-16(13)25-22(15)30-20/h2-4,7-10H,5-6,23H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Innsbruck Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant PKCepsilon (unknown origin)-MBP-tagged RACK2 interaction after 1 hr by ELISA-based assay relative to untreated control				J Med Chem 57: 3235-46 (2014) Article DOI: 10.1021/jm401605c BindingDB Entry DOI: 10.7270/Q2028T25
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50012919 (CHEMBL3261343) Show SMILES CC(=O)c1cccc(NC(=O)c2sc3nc4cc5OCCOc5cc4cc3c2N)c1 Show InChI InChI=1S/C22H17N3O4S/c1-11(26)12-3-2-4-14(7-12)24-21(27)20-19(23)15-8-13-9-17-18(29-6-5-28-17)10-16(13)25-22(15)30-20/h2-4,7-10H,5-6,23H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Innsbruck Medical University Curated by ChEMBL					Assay Description Inhibition of PKCepsilon-induced phosphorylation of Elk1 in human HeLa cells after 4 hrs by luciferase reporter gene assay				J Med Chem 57: 3235-46 (2014) Article DOI: 10.1021/jm401605c BindingDB Entry DOI: 10.7270/Q2028T25
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50012921 (CHEMBL3261337) Show SMILES CCOc1ccc2nc(NC(=O)c3sc4nc5cc(OC)ccc5cc4c3N)sc2c1 Show InChI InChI=1S/C22H18N4O3S2/c1-3-29-13-6-7-15-17(10-13)30-22(25-15)26-20(27)19-18(23)14-8-11-4-5-12(28-2)9-16(11)24-21(14)31-19/h4-10H,3,23H2,1-2H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Innsbruck Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant PKCepsilon (unknown origin)-MBP-tagged RACK2 interaction after 1 hr by ELISA-based assay relative to untreated control				J Med Chem 57: 3235-46 (2014) Article DOI: 10.1021/jm401605c BindingDB Entry DOI: 10.7270/Q2028T25
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50012930 (CHEMBL3261357) Show SMILES O=C1NC(=O)\C(=C\c2ccc3OCOc3c2)C(=O)N1Cc1ccccc1 Show InChI InChI=1S/C19H14N2O5/c22-17-14(8-13-6-7-15-16(9-13)26-11-25-15)18(23)21(19(24)20-17)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,22,24)/b14-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Innsbruck Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant PKCepsilon (unknown origin)-MBP-tagged RACK2 interaction after 1 hr by ELISA-based assay relative to untreated control				J Med Chem 57: 3235-46 (2014) Article DOI: 10.1021/jm401605c BindingDB Entry DOI: 10.7270/Q2028T25
					More data for this Ligand-Target Pair