BDBM280769 US10030025, Compound 45-2::US10836768, Cpd no 45-1::US9987274, Compound 45-1

SMILES: C[C@@H](F)c1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1

InChI Key: InChIKey=UECKJWCZXJBAJH-NXEZZACHSA-N

Data: 9 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 11 hits for monomerid = 280769   

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))	BDBM280769 (US10030025, Compound 45-2 | US10836768, Cpd no 45-...) Show SMILES C[C@@H](F)c1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H16F2N6O2/c1-9(18)13-20-16(27-23-13)15-22-21-14-10(2)24(7-8-25(14)15)17(26)11-3-5-12(19)6-4-11/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	83	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
Neurokinin 3 receptor (Homo sapiens (Human))	BDBM280769 (US10030025, Compound 45-2 | US10836768, Cpd no 45-...) Show SMILES C[C@@H](F)c1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H16F2N6O2/c1-9(18)13-20-16(27-23-13)15-22-21-14-10(2)24(7-8-25(14)15)17(26)11-3-5-12(19)6-4-11/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	100	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 (NK-3 receptor) (Homo sapiens (Human))	BDBM280769 (US10030025, Compound 45-2 | US10836768, Cpd no 45-...) Show SMILES C[C@@H](F)c1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H16F2N6O2/c1-9(18)13-20-16(27-23-13)15-22-21-14-10(2)24(7-8-25(14)15)17(26)11-3-5-12(19)6-4-11/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	100	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 2 receptor (Homo sapiens (Human))	BDBM280769 (US10030025, Compound 45-2 | US10836768, Cpd no 45-...) Show SMILES C[C@@H](F)c1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H16F2N6O2/c1-9(18)13-20-16(27-23-13)15-22-21-14-10(2)24(7-8-25(14)15)17(26)11-3-5-12(19)6-4-11/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/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
hnk-3 (Homo sapiens (Human))	BDBM280769 (US10030025, Compound 45-2 | US10836768, Cpd no 45-...) Show SMILES C[C@@H](F)c1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H16F2N6O2/c1-9(18)13-20-16(27-23-13)15-22-21-14-10(2)24(7-8-25(14)15)17(26)11-3-5-12(19)6-4-11/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/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 2 receptor (Homo sapiens (Human))	BDBM280769 (US10030025, Compound 45-2 | US10836768, Cpd no 45-...) Show SMILES C[C@@H](F)c1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H16F2N6O2/c1-9(18)13-20-16(27-23-13)15-22-21-14-10(2)24(7-8-25(14)15)17(26)11-3-5-12(19)6-4-11/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/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
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM280769 (US10030025, Compound 45-2 | US10836768, Cpd no 45-...) Show SMILES C[C@@H](F)c1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H16F2N6O2/c1-9(18)13-20-16(27-23-13)15-22-21-14-10(2)24(7-8-25(14)15)17(26)11-3-5-12(19)6-4-11/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/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 1 receptor (Homo sapiens (Human))	BDBM280769 (US10030025, Compound 45-2 | US10836768, Cpd no 45-...) Show SMILES C[C@@H](F)c1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H16F2N6O2/c1-9(18)13-20-16(27-23-13)15-22-21-14-10(2)24(7-8-25(14)15)17(26)11-3-5-12(19)6-4-11/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/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))	BDBM280769 (US10030025, Compound 45-2 | US10836768, Cpd no 45-...) Show SMILES C[C@@H](F)c1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H16F2N6O2/c1-9(18)13-20-16(27-23-13)15-22-21-14-10(2)24(7-8-25(14)15)17(26)11-3-5-12(19)6-4-11/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/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
Neuromedin-K receptor (Homo sapiens (Human))	BDBM280769 (US10030025, Compound 45-2 | US10836768, Cpd no 45-...) Show SMILES C[C@@H](F)c1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H16F2N6O2/c1-9(18)13-20-16(27-23-13)15-22-21-14-10(2)24(7-8-25(14)15)17(26)11-3-5-12(19)6-4-11/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	148	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
Neurokinin 3 receptor (Homo sapiens (Human))	BDBM280769 (US10030025, Compound 45-2 | US10836768, Cpd no 45-...) Show SMILES C[C@@H](F)c1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H16F2N6O2/c1-9(18)13-20-16(27-23-13)15-22-21-14-10(2)24(7-8-25(14)15)17(26)11-3-5-12(19)6-4-11/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	285	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