BDBM50112244 CHEMBL3608680::US10030025, Compound 5::US10836768, Cpd no 5::US11731974, Compound 5::US20240199618, Compound 5::US9422299, 5::US9987274, Compound 5

SMILES: C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1

InChI Key: InChIKey=PPSNFPASKFYPMN-UHFFFAOYSA-N

Data: 22 KI  14 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 = 50112244   

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
Neuromedin-K receptor (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2D6 (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) 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 2C9 (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C19 (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 1A2 (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) 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
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) 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
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		23	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		23	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
Neuromedin-K receptor (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		23	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
Neuromedin-K receptor (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		23	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
Neuromedin-K receptor (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		23	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
Neuromedin-K receptor (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		23	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
Neuromedin-K receptor (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		23	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
Neuromedin-K receptor (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		23	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		25	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
Neuromedin-K receptor (Rat)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		219	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)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		>3.00E+4	>-6.17	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)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		>3.00E+4	>-6.17	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 (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		>3.00E+4	>-6.17	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)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		>3.00E+4	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 (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		>3.00E+4	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 (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		>3.00E+4	>-6.17	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 (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		>3.00E+4	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)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		>3.00E+4	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)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		>3.00E+4	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 (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		>3.00E+4	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)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		>3.00E+4	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 (Human)	BDBM50112244 (CHEMBL3608680 | US9422299, 5 | US10030025, Compoun...) Show SMILES Show InChI	GoogleScholar	UniChem		>3.00E+4	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