BDBM242779 US9422299, 45-1::US9422299, 45-2

SMILES: CC(F)c1noc(n1)-c1nnc2C(C)N(CCn12)C(=O)c1ccc(F)cc1

InChI Key: InChIKey=UECKJWCZXJBAJH-UHFFFAOYSA-N

Data: 6 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 8 hits for monomerid = 242779   

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))	BDBM242779 (US9422299, 45-1 | US9422299, 45-2) Show SMILES CC(F)c1noc(n1)-c1nnc2C(C)N(CCn12)C(=O)c1ccc(F)cc1 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	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
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
Neuromedin-K receptor (Homo sapiens (Human))	BDBM242779 (US9422299, 45-1 | US9422299, 45-2) Show SMILES CC(F)c1noc(n1)-c1nnc2C(C)N(CCn12)C(=O)c1ccc(F)cc1 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	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	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))	BDBM242779 (US9422299, 45-1 | US9422299, 45-2) Show SMILES CC(F)c1noc(n1)-c1nnc2C(C)N(CCn12)C(=O)c1ccc(F)cc1 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	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))	BDBM242779 (US9422299, 45-1 | US9422299, 45-2) Show SMILES CC(F)c1noc(n1)-c1nnc2C(C)N(CCn12)C(=O)c1ccc(F)cc1 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	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 1 receptor (Homo sapiens (Human))	BDBM242779 (US9422299, 45-1 | US9422299, 45-2) Show SMILES CC(F)c1noc(n1)-c1nnc2C(C)N(CCn12)C(=O)c1ccc(F)cc1 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	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))	BDBM242779 (US9422299, 45-1 | US9422299, 45-2) Show SMILES CC(F)c1noc(n1)-c1nnc2C(C)N(CCn12)C(=O)c1ccc(F)cc1 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	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
Neuromedin-K receptor (Homo sapiens (Human))	BDBM242779 (US9422299, 45-1 | US9422299, 45-2) Show SMILES CC(F)c1noc(n1)-c1nnc2C(C)N(CCn12)C(=O)c1ccc(F)cc1 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	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
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))	BDBM242779 (US9422299, 45-1 | US9422299, 45-2) Show SMILES CC(F)c1noc(n1)-c1nnc2C(C)N(CCn12)C(=O)c1ccc(F)cc1 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	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
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