Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) with all data for entry = 50000594
TargetHistamine H3 receptor(Homo sapiens (Human))
Freie Universit£t Berlin

Curated by ChEMBL
LigandPNGBDBM50172447((E)-N-[2-(4-Ethyl-piperazin-1-yl)-4-methyl-quinoli...)
Show SMILES CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC)cc3)ccc2n1
Show InChI InChI=1S/C26H30N4O2/c1-4-29-13-15-30(16-14-29)25-17-19(2)23-18-21(8-11-24(23)28-25)27-26(31)12-7-20-5-9-22(32-3)10-6-20/h5-12,17-18H,4,13-16H2,1-3H3,(H,27,31)/b12-7+
Affinity DataKi:  11nMAssay Description:Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analysi...More data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Freie Universit£t Berlin

Curated by ChEMBL
LigandPNGBDBM50241083(6-(4-chlorophenyl)-3-(3-methoxy-4-(2-(pyrrolidin-1...)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN3O3S/c1-31-22-14-19(8-9-21(22)32-13-12-28-10-2-3-11-28)29-16-27-20-15-23(33-24(20)25(29)30)17-4-6-18(26)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3
Affinity DataKi:  208nMAssay Description:Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analysi...More data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Freie Universit£t Berlin

Curated by ChEMBL
LigandPNGBDBM50301081(4-(4-fluorobenzyloxy)-1-(4-(2-(pyrrolidin-1-yl)eth...)
Show SMILES Fc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C24H25FN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2
Affinity DataKi:  517nMAssay Description:Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analysi...More data for this Ligand-Target Pair