BDBM21016 CHEMBL22870::L 732138::L-732,138::L732138::N-acetyltryptophan 3,5-bis(trifluoromethyl)benzyl ester::[3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

SMILES: CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=BYYQYXVAWXAYQC-UHFFFAOYSA-N

Data: 20 KI  16 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 21016   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Substance-P receptor (Human)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Substance-P receptor (Human)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Human)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Human)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Rat)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Human)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Substance-K receptor (Human)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Human)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Human)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Human)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Human)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-K receptor (Human)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Neuromedin-K receptor (Human)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Human)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Rat)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.92E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Human)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.24	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Human)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Human)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Human)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Human)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Human)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Human)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Human)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Human)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		0.730	-12.5	n/a	n/a	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Human)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Rat)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Rat)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Rat)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Rat)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Rat)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Rat)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		130	-9.39	n/a	n/a	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-K receptor (Rat)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Rat)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-K receptor (Rat)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Rat)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Substance-P receptor (Rat)	BDBM21016 ([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acet...) Show SMILES Show InChI	GoogleScholar	UniChem		134	-9.37	n/a	n/a	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
					More data for this Ligand-Target Pair