BDBM118454 US11059828, Example 382::US11667644, Example 107::US20240208981, Compound Seltorexant::US8653263, 107::US9586962, Example 107::USRE48841, Example 107

SMILES: Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1

InChI Key: InChIKey=SQOCEMCKYDVLMM-UHFFFAOYSA-N

Data: 20 KI  4 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 24 hits for monomerid = 118454   

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 2D6 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C19 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C9 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) 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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Cytochrome P450 1A2 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Orexin receptor type 2 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) Show SMILES Show InChI	GoogleScholar	UniChem		9	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
Orexin receptor type 2 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) Show SMILES Show InChI	GoogleScholar	UniChem		9	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
Orexin receptor type 2 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) Show SMILES Show InChI	GoogleScholar	UniChem		9	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
Orexin receptor type 2 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) Show SMILES Show InChI	GoogleScholar	UniChem		9	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
Orexin receptor type 2 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) Show SMILES Show InChI	GoogleScholar	UniChem		9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) Show SMILES Show InChI	GoogleScholar	UniChem		9	-11.0	n/a	n/a	n/a	n/a	n/a	n/a	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) Show SMILES Show InChI	GoogleScholar	UniChem		14	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
Orexin receptor type 2 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) Show SMILES Show InChI	GoogleScholar	UniChem		14	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
Orexin receptor type 2 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) Show SMILES Show InChI	GoogleScholar	UniChem		14	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
Orexin/Hypocretin receptor type 1 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) Show SMILES Show InChI	GoogleScholar	UniChem		14	-10.7	n/a	n/a	n/a	n/a	n/a	n/a	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) Show SMILES Show InChI	GoogleScholar	UniChem		854	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
Orexin/Hypocretin receptor type 1 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) Show SMILES Show InChI	GoogleScholar	UniChem		854	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
Orexin/Hypocretin receptor type 1 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) Show SMILES Show InChI	GoogleScholar	UniChem		854	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
Orexin receptor type 2 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) Show SMILES Show InChI	GoogleScholar	UniChem		854	-8.27	n/a	n/a	n/a	n/a	n/a	n/a	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) Show SMILES Show InChI	GoogleScholar	UniChem		868	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
Orexin/Hypocretin receptor type 1 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) Show SMILES Show InChI	GoogleScholar	UniChem		868	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
Orexin/Hypocretin receptor type 1 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) Show SMILES Show InChI	GoogleScholar	UniChem		868	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
Orexin/Hypocretin receptor type 1 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) Show SMILES Show InChI	GoogleScholar	UniChem		868	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
Orexin receptor type 2 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) Show SMILES Show InChI	GoogleScholar	UniChem		868	-8.26	n/a	n/a	n/a	n/a	n/a	n/a	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Human)	BDBM118454 (US8653263, 107 | US9586962, Example 107 | USRE4884...) Show SMILES Show InChI	GoogleScholar	UniChem		1.28E+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