BDBM362839 (R)-(4-fluorophenyl)(8- methyl-3-(5-methylfuran-2- yl)-5,6-dihydro- [1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl)methanone::US9840508, Compound 1

SMILES: C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)cc1

InChI Key: InChIKey=QNQLAOGIKKMCID-GFCCVEGCSA-N

Data: 4 KI  1 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 5 hits for monomerid = 362839   

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))	BDBM362839 ((R)-(4-fluorophenyl)(8- methyl-3-(5-methylfuran-2-...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H17FN4O2/c1-11-3-8-15(25-11)17-21-20-16-12(2)22(9-10-23(16)17)18(24)13-4-6-14(19)7-5-13/h3-8,12H,9-10H2,1-2H3/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
OGED SA US Patent					Assay Description The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...				US Patent US9840508 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92P6
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM362839 ((R)-(4-fluorophenyl)(8- methyl-3-(5-methylfuran-2-...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H17FN4O2/c1-11-3-8-15(25-11)17-21-20-16-12(2)22(9-10-23(16)17)18(24)13-4-6-14(19)7-5-13/h3-8,12H,9-10H2,1-2H3/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
OGED SA US Patent					Assay Description The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...				US Patent US9840508 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92P6
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM362839 ((R)-(4-fluorophenyl)(8- methyl-3-(5-methylfuran-2-...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H17FN4O2/c1-11-3-8-15(25-11)17-21-20-16-12(2)22(9-10-23(16)17)18(24)13-4-6-14(19)7-5-13/h3-8,12H,9-10H2,1-2H3/t12-/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
OGED 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 US9840508 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92P6
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM362839 ((R)-(4-fluorophenyl)(8- methyl-3-(5-methylfuran-2-...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H17FN4O2/c1-11-3-8-15(25-11)17-21-20-16-12(2)22(9-10-23(16)17)18(24)13-4-6-14(19)7-5-13/h3-8,12H,9-10H2,1-2H3/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
OGED 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 US9840508 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92P6
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM362839 ((R)-(4-fluorophenyl)(8- methyl-3-(5-methylfuran-2-...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H17FN4O2/c1-11-3-8-15(25-11)17-21-20-16-12(2)22(9-10-23(16)17)18(24)13-4-6-14(19)7-5-13/h3-8,12H,9-10H2,1-2H3/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
OGED SA US Patent					Assay Description The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...				US Patent US9840508 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92P6
					More data for this Ligand-Target Pair