BDBM50089567 CHEMBL35857::N-[(E)-1-(4-Chloro-benzyl)-3-(2-oxo-azepan-3-ylcarbamoyl)-allyl]-N-methyl-3,5-bis-trifluoromethyl-benzamide

SMILES CN(C(Cc1ccc(Cl)cc1)\C=C\C(=O)NC1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key InChIKey=ATMHFQDWDFHUDF-MDZDMXLPSA-N

Data  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50089567   

TargetSubstance-K receptor(Homo sapiens (Human))
Novartis Pharma AG

Curated by ChEMBL
LigandPNGBDBM50089567(CHEMBL35857 | N-[(E)-1-(4-Chloro-benzyl)-3-(2-oxo-...)
Show SMILES CN(C(Cc1ccc(Cl)cc1)\C=C\C(=O)NC1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H26ClF6N3O3/c1-37(25(40)17-13-18(26(29,30)31)15-19(14-17)27(32,33)34)21(12-16-5-7-20(28)8-6-16)9-10-23(38)36-22-4-2-3-11-35-24(22)39/h5-10,13-15,21-22H,2-4,11-12H2,1H3,(H,35,39)(H,36,38)/b10-9+
Affinity DataIC50: 55nMAssay Description:In vitro inhibition of [125I]-NKA binding to transfected Chinese hamster ovary cells (CHO cells) expressing recombinant human Tachykinin receptor 2More data for this Ligand-Target Pair
TargetSubstance-P receptor(Homo sapiens (Human))
Novartis Pharma AG

Curated by ChEMBL
LigandPNGBDBM50089567(CHEMBL35857 | N-[(E)-1-(4-Chloro-benzyl)-3-(2-oxo-...)
Show SMILES CN(C(Cc1ccc(Cl)cc1)\C=C\C(=O)NC1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H26ClF6N3O3/c1-37(25(40)17-13-18(26(29,30)31)15-19(14-17)27(32,33)34)21(12-16-5-7-20(28)8-6-16)9-10-23(38)36-22-4-2-3-11-35-24(22)39/h5-10,13-15,21-22H,2-4,11-12H2,1H3,(H,35,39)(H,36,38)/b10-9+
Affinity DataIC50: 0.760nMAssay Description:In vitro inhibition of [3H]-Sar9-substance P binding to Tachykinin receptor 1 in bovine retinal membranesMore data for this Ligand-Target Pair