BDBM50336575 CHEMBL1672054::cis-(1'-Acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]-ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide

SMILES: C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1c1ccc(F)cc1C)N1CCN(CC1)C(C)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=XGGTZCKQRWXCHW-UHFFFAOYSA-N

Data: 4 KI  2 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 6 hits for monomerid = 50336575   

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
Cytochrome P450 3A4 (Human)	BDBM50336575 (cis-(1'-Acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50336575 (cis-(1'-Acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Substance-P receptor (Human)	BDBM50336575 (cis-(1'-Acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		0.126	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)	BDBM50336575 (cis-(1'-Acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		0.331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sigma non-opioid intracellular receptor 1 (Human)	BDBM50336575 (cis-(1'-Acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		2.98E+3	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
Cytochrome P450 3A4 (Human)	BDBM50336575 (cis-(1'-Acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		4.93E+3	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