BDBM242754 US10030025, Compound 18::US10836768, Cpd no 18::US9422299, 18::US9987274, Compound 18

SMILES: C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1F

InChI Key: InChIKey=OZEMPZBRQPJERB-MRVPVSSYSA-N

Data: 12 KI  6 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 18 hits for monomerid = 242754   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuromedin-K receptor (Homo sapiens (Human))	BDBM242754 (US10030025, Compound 18 | US10836768, Cpd no 18 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)11-4-3-10(17)7-12(11)18/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	54	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
OGEDA SA US Patent					Assay Description The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...				US Patent US10030025 (2018) BindingDB Entry DOI: 10.7270/Q2B56MSG
					More data for this Ligand-Target Pair
Neuromedin-K receptor (NK-3 receptor) (Homo sapiens (Human))	BDBM242754 (US10030025, Compound 18 | US10836768, Cpd no 18 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)11-4-3-10(17)7-12(11)18/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals					Assay Description Human NK-3: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an...				Bioorg Med Chem 17: 3934-58 (2009) BindingDB Entry DOI: 10.7270/Q2SN0C9W
					More data for this Ligand-Target Pair
Neurokinin 3 receptor (Homo sapiens (Human))	BDBM242754 (US10030025, Compound 18 | US10836768, Cpd no 18 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)11-4-3-10(17)7-12(11)18/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA US Patent					Assay Description The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...				US Patent US10836768 (2020)
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM242754 (US10030025, Compound 18 | US10836768, Cpd no 18 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)11-4-3-10(17)7-12(11)18/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	54	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
EUROSCREEN SA US Patent					Assay Description The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...				US Patent US9422299 (2016) BindingDB Entry DOI: 10.7270/Q2GM866C
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM242754 (US10030025, Compound 18 | US10836768, Cpd no 18 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)11-4-3-10(17)7-12(11)18/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>3.00E+4	>-6.17	n/a	n/a	n/a	n/a	n/a	7.4	25
EUROSCREEN SA US Patent					Assay Description The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...				US Patent US9422299 (2016) BindingDB Entry DOI: 10.7270/Q2GM866C
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM242754 (US10030025, Compound 18 | US10836768, Cpd no 18 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)11-4-3-10(17)7-12(11)18/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>3.00E+4	>-6.17	n/a	n/a	n/a	n/a	n/a	7.4	25
EUROSCREEN SA US Patent					Assay Description The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...				US Patent US9422299 (2016) BindingDB Entry DOI: 10.7270/Q2GM866C
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM242754 (US10030025, Compound 18 | US10836768, Cpd no 18 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)11-4-3-10(17)7-12(11)18/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>3.00E+4	>-6.17	n/a	n/a	n/a	n/a	n/a	7.4	25
OGEDA SA US Patent					Assay Description The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...				US Patent US10030025 (2018) BindingDB Entry DOI: 10.7270/Q2B56MSG
					More data for this Ligand-Target Pair
hnk-3 (Homo sapiens (Human))	BDBM242754 (US10030025, Compound 18 | US10836768, Cpd no 18 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)11-4-3-10(17)7-12(11)18/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA US Patent					Assay Description The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...				US Patent US10836768 (2020)
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM242754 (US10030025, Compound 18 | US10836768, Cpd no 18 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)11-4-3-10(17)7-12(11)18/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA US Patent					Assay Description The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...				US Patent US10836768 (2020)
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM242754 (US10030025, Compound 18 | US10836768, Cpd no 18 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)11-4-3-10(17)7-12(11)18/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals					Assay Description Human NK-2 The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 recep...				Bioorg Med Chem 17: 3934-58 (2009) BindingDB Entry DOI: 10.7270/Q2SN0C9W
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM242754 (US10030025, Compound 18 | US10836768, Cpd no 18 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)11-4-3-10(17)7-12(11)18/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals					Assay Description Human NK-1: The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 rece...				Bioorg Med Chem 17: 3934-58 (2009) BindingDB Entry DOI: 10.7270/Q2SN0C9W
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM242754 (US10030025, Compound 18 | US10836768, Cpd no 18 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)11-4-3-10(17)7-12(11)18/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>3.00E+4	>-6.17	n/a	n/a	n/a	n/a	n/a	7.4	25
OGEDA SA US Patent					Assay Description The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...				US Patent US10030025 (2018) BindingDB Entry DOI: 10.7270/Q2B56MSG
					More data for this Ligand-Target Pair
Neurokinin 3 receptor (Homo sapiens (Human))	BDBM242754 (US10030025, Compound 18 | US10836768, Cpd no 18 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)11-4-3-10(17)7-12(11)18/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA US Patent					Assay Description Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...				US Patent US10836768 (2020)
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM242754 (US10030025, Compound 18 | US10836768, Cpd no 18 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)11-4-3-10(17)7-12(11)18/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
EUROSCREEN SA US Patent					Assay Description The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKr current generated in ...				US Patent US9422299 (2016) BindingDB Entry DOI: 10.7270/Q2GM866C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM242754 (US10030025, Compound 18 | US10836768, Cpd no 18 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)11-4-3-10(17)7-12(11)18/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
OGEDA SA US Patent					Assay Description The human ether-a-go-go related gene (hERG) encodes the inward rectifying voltage gated potassium channel in the heart (IKr) which is involved in car...				US Patent US10030025 (2018) BindingDB Entry DOI: 10.7270/Q2B56MSG
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM242754 (US10030025, Compound 18 | US10836768, Cpd no 18 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)11-4-3-10(17)7-12(11)18/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA US Patent					Assay Description The human ether-a-go-go related gene (hERG) encodes the inward rectifying voltage gated potassium channel in the heart (Igr) which is involved in car...				US Patent US10836768 (2020)
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM242754 (US10030025, Compound 18 | US10836768, Cpd no 18 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)11-4-3-10(17)7-12(11)18/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
EUROSCREEN SA US Patent					Assay Description Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for th...				US Patent US9422299 (2016) BindingDB Entry DOI: 10.7270/Q2GM866C
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM242754 (US10030025, Compound 18 | US10836768, Cpd no 18 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F2N6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)11-4-3-10(17)7-12(11)18/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
OGEDA SA US Patent					Assay Description Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...				US Patent US10030025 (2018) BindingDB Entry DOI: 10.7270/Q2B56MSG
					More data for this Ligand-Target Pair