BDBM50024320 CHEMBL32301::[(S)-1-((S)-1-Carbamoyl-2-phenyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester::[1-(1-Carbamoyl-2-phenyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester

SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key InChIKey=BBVKWFPUAZBKNG-SFTDATJTSA-N

Data  2 KI  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50024320   

TargetGastrin/cholecystokinin type B receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50024320(CHEMBL32301 | [(S)-1-((S)-1-Carbamoyl-2-phenyl-eth...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C25H30N4O4/c1-25(2,3)33-24(32)29-21(14-17-15-27-19-12-8-7-11-18(17)19)23(31)28-20(22(26)30)13-16-9-5-4-6-10-16/h4-12,15,20-21,27H,13-14H2,1-3H3,(H2,26,30)(H,28,31)(H,29,32)/t20-,21-/m0/s1
Affinity DataKi:  7.00E+4nMAssay Description:Inhibitory activity of the compound against Cholecystokinin type B receptorMore data for this Ligand-Target Pair
In DepthDetails Article
LigandPNGBDBM50024320(CHEMBL32301 | [(S)-1-((S)-1-Carbamoyl-2-phenyl-eth...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C25H30N4O4/c1-25(2,3)33-24(32)29-21(14-17-15-27-19-12-8-7-11-18(17)19)23(31)28-20(22(26)30)13-16-9-5-4-6-10-16/h4-12,15,20-21,27H,13-14H2,1-3H3,(H2,26,30)(H,28,31)(H,29,32)/t20-,21-/m0/s1
Affinity DataKi:  7.50E+4nMAssay Description:Displacement of [3H]pentagastrin from Cholecystokinin receptor of mouse cerebral cortexMore data for this Ligand-Target Pair
TargetNeuromedin-K receptor(Homo sapiens (Human))
Cambridge University Forvie Site

Curated by ChEMBL
LigandPNGBDBM50024320(CHEMBL32301 | [(S)-1-((S)-1-Carbamoyl-2-phenyl-eth...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C25H30N4O4/c1-25(2,3)33-24(32)29-21(14-17-15-27-19-12-8-7-11-18(17)19)23(31)28-20(22(26)30)13-16-9-5-4-6-10-16/h4-12,15,20-21,27H,13-14H2,1-3H3,(H2,26,30)(H,28,31)(H,29,32)/t20-,21-/m0/s1
Affinity DataIC50: 2.08E+3nMAssay Description:Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell linesMore data for this Ligand-Target Pair
TargetNeuromedin-K receptor(Homo sapiens (Human))
Cambridge University Forvie Site

Curated by ChEMBL
LigandPNGBDBM50024320(CHEMBL32301 | [(S)-1-((S)-1-Carbamoyl-2-phenyl-eth...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C25H30N4O4/c1-25(2,3)33-24(32)29-21(14-17-15-27-19-12-8-7-11-18(17)19)23(31)28-20(22(26)30)13-16-9-5-4-6-10-16/h4-12,15,20-21,27H,13-14H2,1-3H3,(H2,26,30)(H,28,31)(H,29,32)/t20-,21-/m0/s1
Affinity DataIC50: 3.00E+3nMAssay Description:Binding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligandMore data for this Ligand-Target Pair
In DepthDetails Article