BDBM50277511 3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-4-(4-fluorophenyl)octahydro-1H-isoindol-2-yl]cyclopent-2-en-1-one::CHEMBL447955

SMILES: C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)C1=CC(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=FLNYCRJBCNNHRH-UHFFFAOYSA-N

Data: 2 KI  12 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 14 hits for monomerid = 50277511   

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)	BDBM50277511 (3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
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Substance-P receptor (Human)	BDBM50277511 (3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50277511 (3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C8 (Human)	BDBM50277511 (3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C9 (Human)	BDBM50277511 (3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C19 (Human)	BDBM50277511 (3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2D6 (Human)	BDBM50277511 (3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 1A2 (Human)	BDBM50277511 (3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Neuromedin-K receptor (Human)	BDBM50277511 (3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Substance-K receptor (Human)	BDBM50277511 (3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Substance-P receptor (Human)	BDBM50277511 (3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
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Substance-P receptor (Human)	BDBM50277511 (3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
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Substance-K receptor (Human)	BDBM50277511 (3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...) Show SMILES Show InChI	GoogleScholar	UniChem		2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Neuromedin-K receptor (Human)	BDBM50277511 (3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...) Show SMILES Show InChI	GoogleScholar	UniChem		2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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