BDBM98678 US8497286, 154

SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1ccc(cn1)C(C)C

InChI Key InChIKey=YOVGCKBDPOHLAV-CNIHBODFSA-N

Data  16 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 98678   

TargetRenin(Human)
Novartis

US Patent
LigandPNGBDBM98678(US8497286, 154)
Affinity DataIC50:  2nMAssay Description:Inhibition activity of renin using FRET assay.More data for this Ligand-Target Pair
In DepthDetails US Patent
PDB3D3D Structure (crystal)

TargetRenin(Human)
Novartis

US Patent
LigandPNGBDBM98678(US8497286, 154)
Affinity DataIC50:  0.200nMAssay Description:Inhibition of renin (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetPepsin A-5(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM98678(US8497286, 154)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human recombinant pepsinogen A expressed in Escherichia coli using fluorescence-quenched Dabcyl-E-R-Nle-F-L-S-F-P-EDANS substrate by fl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGastricsin(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM98678(US8497286, 154)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human recombinant pepsinogen C expressed in Escherichia coli using fluorescence-quenched Dabcyl-E-R-Nle-F-L-S-F-P-EDANS substrate by fl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin D(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM98678(US8497286, 154)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human recombinant procathepsin D expressed in SF9 cells using fluorescence-quenched Ac-E-D(EDANS)-KPILFFRLG-K(Dabcyl)-E-Amid substrate ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin E(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM98678(US8497286, 154)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human recombinant human procathepsin E expressed in Escherichia coli using fluorescence-quenched Ac-E-D(EDANS)-KPILFFRLG-K(Dabcyl)-E-Am...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBeta-secretase 1(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM98678(US8497286, 154)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human recombinant BACE1 expressed in SF9 cells using fluorescence-quenched RE(EDANS)-EVNLDAEF-K(DABSYL)-R substrate by fluorimetric ass...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBeta-secretase 2(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM98678(US8497286, 154)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human recombinant BACE2 expressed in SF9 cells using fluorescence-quenched RE(EDANS)-EVNLDAEF-K(DABSYL)-R substrate by fluorimetric ass...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 3A4(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM98678(US8497286, 154)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C9(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM98678(US8497286, 154)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2D6(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM98678(US8497286, 154)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSodium channel protein type 5 subunit alpha(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM98678(US8497286, 154)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of Nav1.5 (unknown origin) by patch clamp assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSodium channel protein type 2 subunit alpha(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM98678(US8497286, 154)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of Nav1.2 (unknown origin) by patch clamp assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetRenin(Human)
Novartis

US Patent
LigandPNGBDBM98678(US8497286, 154)
Affinity DataIC50:  0.200nMAssay Description:Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetRenin(Human)
Novartis

US Patent
LigandPNGBDBM98678(US8497286, 154)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of human recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM98678(US8497286, 154)
Affinity DataIC50: >3.00E+4nMAssay Description:Displacement of [3H]dofetilide from human ERG expressed in HEK293 cell membranes incubated for 90 mins by beta-counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed