BDBM242749 US10030025, Compound 13::US10836768, Cpd no 13::US9422299, 13::US9987274, Compound 13

SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1

InChI Key InChIKey=AWKTWOOCLJMRQH-SNVBAGLBSA-N

Data  12 KI  6 IC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 242749   

TargetNeuromedin-K receptor(Homo sapiens (Human))
Ogeda SA

US Patent
LigandPNGBDBM242749(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
Affinity DataKi:  40nMpH: 7.4Assay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNeuromedin-K receptor(Homo sapiens (Human))
Ogeda SA

US Patent
LigandPNGBDBM242749(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
Affinity DataKi:  40nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNeuromedin-K receptor(Homo sapiens (Human))
Ogeda SA

US Patent
LigandPNGBDBM242749(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
Affinity DataKi:  40nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNeuromedin-K receptor(Homo sapiens (Human))
Ogeda SA

US Patent
LigandPNGBDBM242749(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
Affinity DataKi:  40nMpH: 7.4Assay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSubstance-K receptor(Homo sapiens (Human))
Euroscreen SA

US Patent
LigandPNGBDBM242749(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
Affinity DataKi: >3.00E+4nM ΔG°: >-6.17kcal/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSubstance-P receptor(Homo sapiens (Human))
Euroscreen SA

US Patent
LigandPNGBDBM242749(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
Affinity DataKi: >3.00E+4nM ΔG°: >-6.17kcal/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSubstance-K receptor(Homo sapiens (Human))
Euroscreen SA

US Patent
LigandPNGBDBM242749(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
Affinity DataKi: >3.00E+4nM ΔG°: >-6.17kcal/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSubstance-K receptor(Homo sapiens (Human))
Euroscreen SA

US Patent
LigandPNGBDBM242749(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
Affinity DataKi: >3.00E+4nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSubstance-P receptor(Homo sapiens (Human))
Euroscreen SA

US Patent
LigandPNGBDBM242749(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
Affinity DataKi: >3.00E+4nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSubstance-K receptor(Homo sapiens (Human))
Euroscreen SA

US Patent
LigandPNGBDBM242749(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
Affinity DataKi: >3.00E+4nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSubstance-P receptor(Homo sapiens (Human))
Euroscreen SA

US Patent
LigandPNGBDBM242749(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
Affinity DataKi: >3.00E+4nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSubstance-P receptor(Homo sapiens (Human))
Euroscreen SA

US Patent
LigandPNGBDBM242749(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
Affinity DataKi: >3.00E+4nM ΔG°: >-6.17kcal/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNeuromedin-K receptor(Homo sapiens (Human))
Ogeda SA

US Patent
LigandPNGBDBM242749(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
Affinity DataIC50: 44nMAssay Description:Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Euroscreen SA

US Patent
LigandPNGBDBM242749(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
Affinity DataIC50: 7.00E+4nMAssay 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 ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Euroscreen SA

US Patent
LigandPNGBDBM242749(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
Affinity DataIC50: 7.00E+4nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Euroscreen SA

US Patent
LigandPNGBDBM242749(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
Affinity DataIC50: 7.00E+4nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNeuromedin-K receptor(Homo sapiens (Human))
Ogeda SA

US Patent
LigandPNGBDBM242749(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
Affinity DataIC50: 44nMAssay Description:Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for th...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNeuromedin-K receptor(Homo sapiens (Human))
Ogeda SA

US Patent
LigandPNGBDBM242749(US10030025, Compound 13 | US10836768, Cpd no 13 | ...)
Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
Affinity DataIC50: 44nMAssay Description:Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid