BDBM21012 (2S)-2-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-({[3,5-bis(trifluoromethyl)phenyl]methyl}carbamoyl)-2-(1H-indol-3-yl)ethyl]-4-methylpentanamide::C-terminal modified bifunctional peptide, 5::H-Tyr-D-Ala-Gly-Phe-Pro-Leu-Trp-NH-3,5-Bzl(CF3)2
SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI Key InChIKey=LWOMHJBSXPGKKS-REAJPLCASA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 12 hits for monomerid = 21012
Affinity DataKi: 0.600nMAssay Description:Displacement of [3H]SP from recombinant human neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation countingMore data for this Ligand-Target Pair
Affinity DataKi: 0.610nM ΔG°: -12.6kcal/molepH: 7.4 T: 2°CAssay Description:Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...More data for this Ligand-Target Pair
Affinity DataKi: 9.5nMAssay Description:Binding affinity to mu opioid receptor (unknown origin)More data for this Ligand-Target Pair
Affinity DataKi: 9.5nM ΔG°: -10.9kcal/mole EC50: 57nMpH: 7.4 T: 2°CAssay Description:Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...More data for this Ligand-Target Pair
Affinity DataKi: 33nM ΔG°: -10.2kcal/molepH: 7.4 T: 2°CAssay Description:Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...More data for this Ligand-Target Pair
Affinity DataKi: 33nMAssay Description:Displacement of [3H]SP from rat neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation countingMore data for this Ligand-Target Pair
Affinity DataKi: 72nMAssay Description:Binding affinity to delta opioid receptor (unknown origin)More data for this Ligand-Target Pair
Affinity DataKi: 72nM ΔG°: -9.74kcal/mole EC50: 80nMpH: 7.4 T: 2°CAssay Description:Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...More data for this Ligand-Target Pair
Affinity DataIC50: 45nMAssay Description:Agonist activity at delta opioid receptor in ICR mouse isolated vas deferens assessed as inhibition of electrically-stimulated muscle contractionMore data for this Ligand-Target Pair
Affinity DataIC50: 350nMAssay Description:Agonist activity at mu opioid receptor in Hartley guniea pig isolated ileum assessed as inhibition of electrically-stimulated muscle contractionMore data for this Ligand-Target Pair
Affinity DataIC50: 158nMAssay Description:Binding affinity to delta opioid receptor (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 20nMAssay Description:Binding affinity to mu opioid receptor (unknown origin)More data for this Ligand-Target Pair