Compile Data Set for Download or QSAR
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LigandPNGBDBM50460861(CHEMBL4229237)
Affinity DataEC50: >3.00E+4nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
LigandPNGBDBM50460866(CHEMBL4226706)
Affinity DataEC50:  2.00E+3nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
LigandPNGBDBM50460865(CHEMBL2324351)
Affinity DataEC50:  6.00E+3nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
LigandPNGBDBM50460862(CHEMBL4227222)
Affinity DataEC50:  1.80E+4nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
LigandPNGBDBM50460864(CHEMBL4225135)
Affinity DataEC50: >3.00E+4nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
LigandPNGBDBM50557922(CHEMBL4747709)
Affinity DataEC50:  1.00E+4nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
LigandPNGBDBM50460860(CHEMBL4227903)
Affinity DataEC50: >3.00E+4nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50: 0.0600nMAssay Description:Inhibition of human Nav1.6 alpha expressed in HEK293 cells incubated for 5 mins with 6 consecutive train pulses to -10 mV at 0.1 Hz and holding poten...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
LigandPNGBDBM50240278(CHEMBL4062780)
Affinity DataIC50: 0.0900nMAssay Description:Inhibition of human Nav1.6 alpha expressed in HEK293 cells incubated for 5 mins with 6 consecutive train pulses to -10 mV at 0.1 Hz and holding poten...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetCannabinoid receptor 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50341928(cis-(4-chlorophenyl)((4R,4aS,8aR)-4-hydroxy-4-phen...)
Affinity DataIC50: 0.140nMAssay Description:Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
LigandPNGBDBM630994(US11802122, Example 73A | US11802122, Example 73B ...)
Affinity DataIC50: 0.200nMAssay Description:The following buffers were used for the Qube recordings: External buffer for NaV1.8 Qube recording: 150 NaCl, 2 CaCl2, 5 KCl, 1 Mg Cl2, 10 HEPES, 12 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2023
Entry Details
Go to US Patent

LigandPNGBDBM621933(US20230312528, Example 73B | (S)-N-((R or S)-(3- c...)
Affinity DataIC50: 0.200nMAssay Description:Compounds were tested on human NaV1.8 and NaV1.5 channels stably expressed in human embryo kidney (HEK) 293 cells. Sodium current measurements on Qub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/13/2023
Entry Details
Go to US Patent

LigandPNGBDBM630994(US11802122, Example 73A | US11802122, Example 73B ...)
Affinity DataIC50: 0.200nMAssay Description:The following buffers were used for the Qube recordings: External buffer for NaV1.8 Qube recording: 150 NaCl, 2 CaCl2, 5 KCl, 1 Mg Cl2, 10 HEPES, 12 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2023
Entry Details
Go to US Patent

LigandPNGBDBM621932(US20230312528, Example 73A | (S)-N-((R or S)-(3- c...)
Affinity DataIC50: 0.200nMAssay Description:Compounds were tested on human NaV1.8 and NaV1.5 channels stably expressed in human embryo kidney (HEK) 293 cells. Sodium current measurements on Qub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/13/2023
Entry Details
Go to US Patent

TargetCalcitonin gene-related peptide type 1 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50342639(N-((6S,9R)-6-(2,3-difluorophenyl)-3-(2-methyltetra...)
Affinity DataIC50: 0.210nMAssay Description:Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetCalcitonin gene-related peptide type 1 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50342634(N-((6S,9R)-6-(2,3-difluorophenyl)-3-(2-methoxyprop...)
Affinity DataIC50: 0.240nMAssay Description:Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetCalcitonin gene-related peptide type 1 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50342638(N-((6S,9R)-6-(2,3-difluorophenyl)-3-(3-methoxypent...)
Affinity DataIC50: 0.25nMAssay Description:Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetSodium channel protein type 10 subunit alpha(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50547894(CHEMBL4760292 | US11377438, Example 172)
Affinity DataIC50: 0.300nMAssay Description:The following buffers were used for the Qube recordings: External buffer for Nav1.8 Qube recording: 150 NaCl, 2 CaCl2, 5 KCl, 1 Mg Cl2, 10 HEPES, 12 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/6/2022
Entry Details
Go to US Patent

TargetCannabinoid receptor 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50340312((2,3-dichlorophenyl)(1-((4,4-difluoropiperidin-1-y...)
Affinity DataIC50: 0.300nMAssay Description:Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP levelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2011
Entry Details Article
PubMed
TargetCalcitonin gene-related peptide type 1 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50342625(N-((6S,9R)-6-(2,3-difluorophenyl)-3-(2-methoxyprop...)
Affinity DataIC50: 0.310nMAssay Description:Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetCalcitonin gene-related peptide type 1 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50342636(N-((6S,9R)-6-(2,3-difluorophenyl)-3-(2-ethoxypropa...)
Affinity DataIC50: 0.320nMAssay Description:Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetCalcitonin gene-related peptide type 1 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50342612(N-((6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluo...)
Affinity DataIC50: 0.370nMAssay Description:Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
LigandPNGBDBM621910(US20230312528, Example 62A | US11802122, Example 6...)
Affinity DataIC50: 0.400nMAssay Description:The following buffers were used for the Qube recordings: External buffer for NaV1.8 Qube recording: 150 NaCl, 2 CaCl2, 5 KCl, 1 Mg Cl2, 10 HEPES, 12 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2023
Entry Details
Go to US Patent

LigandPNGBDBM621911(US20230312528, Example 62B | (S)-N-((R or S)-(3- c...)
Affinity DataIC50: 0.400nMAssay Description:Compounds were tested on human NaV1.8 and NaV1.5 channels stably expressed in human embryo kidney (HEK) 293 cells. Sodium current measurements on Qub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/13/2023
Entry Details
Go to US Patent

TargetCalcitonin gene-related peptide type 1 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50342630(N-((6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluo...)
Affinity DataIC50: 0.410nMAssay Description:Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetCalcitonin gene-related peptide type 1 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50342638(N-((6S,9R)-6-(2,3-difluorophenyl)-3-(3-methoxypent...)
Affinity DataIC50: 0.420nMAssay Description:Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assay in presence of 50% human serumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetCathepsin K(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50589639(CHEMBL5192725)
Affinity DataIC50: 0.5nMAssay Description:Inhibition of humanized-rabbit Cathepsin KMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCathepsin K(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50589638(CHEMBL5176632)
Affinity DataIC50: 0.5nMAssay Description:Inhibition of humanized-rabbit Cathepsin KMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCathepsin K(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50589630(CHEMBL5200434)
Affinity DataIC50: 0.5nMAssay Description:Inhibition of human Cathepsin KMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetSodium channel protein type 10 subunit alpha(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50547896(CHEMBL4777598 | US11377438, Example 184)
Affinity DataIC50: 0.5nMAssay Description:The following buffers were used for the Qube recordings: External buffer for Nav1.8 Qube recording: 150 NaCl, 2 CaCl2, 5 KCl, 1 Mg Cl2, 10 HEPES, 12 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/6/2022
Entry Details
Go to US Patent

TargetCathepsin K(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50589631(CHEMBL5178296)
Affinity DataIC50: 0.5nMAssay Description:Inhibition of human Cathepsin KMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCannabinoid receptor 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50341934(cis-rac-((4S,4aR,8aS)-4-hydroxy-4-phenyloctahydroq...)
Affinity DataIC50: 0.530nMAssay Description:Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetCannabinoid receptor 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50341920(((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...)
Affinity DataIC50: 0.550nMAssay Description:Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetCannabinoid receptor 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50341920(((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...)
Affinity DataIC50: 0.550nMAssay Description:Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
LigandPNGBDBM630957(US11802122, Example 17A | (S)-N-((R or S)-(4- chlo...)
Affinity DataIC50: 0.600nMAssay Description:The following buffers were used for the Qube recordings: External buffer for NaV1.8 Qube recording: 150 NaCl, 2 CaCl2, 5 KCl, 1 Mg Cl2, 10 HEPES, 12 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2023
Entry Details
Go to US Patent

TargetCathepsin K(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50589632(CHEMBL5187327)
Affinity DataIC50: 0.600nMAssay Description:Inhibition of human Cathepsin KMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
LigandPNGBDBM621824(US20230312528, Example 17A | (S)-N-((R or S)-(4- c...)
Affinity DataIC50: 0.600nMAssay Description:Compounds were tested on human NaV1.8 and NaV1.5 channels stably expressed in human embryo kidney (HEK) 293 cells. Sodium current measurements on Qub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/13/2023
Entry Details
Go to US Patent

TargetCathepsin K(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50589635(CHEMBL5192453)
Affinity DataIC50: 0.600nMAssay Description:Inhibition of humanized-rabbit Cathepsin KMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCalcitonin gene-related peptide type 1 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50342625(N-((6S,9R)-6-(2,3-difluorophenyl)-3-(2-methoxyprop...)
Affinity DataIC50: 0.610nMAssay Description:Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assay in presence of 50% human serumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetCalcitonin gene-related peptide type 1 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50342633(N-((6S,9R)-6-(2,3-difluorophenyl)-3-(methoxymethyl...)
Affinity DataIC50: 0.610nMAssay Description:Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetCalcitonin gene-related peptide type 1 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50342623(N-((6S,9R)-6-(2,3-difluorophenyl)-3-isopropyl-6,7,...)
Affinity DataIC50: 0.620nMAssay Description:Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetCannabinoid receptor 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50341930(cis-((4R,4aS,8aR)-4-hydroxy-4-phenyloctahydroquino...)
Affinity DataIC50: 0.620nMAssay Description:Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetCalcitonin gene-related peptide type 1 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50342634(N-((6S,9R)-6-(2,3-difluorophenyl)-3-(2-methoxyprop...)
Affinity DataIC50: 0.630nMAssay Description:Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assay in presence of 50% human serumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetCalcitonin gene-related peptide type 1 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50342624(N-((6S,9R)-6-(2,3-difluorophenyl)-3-(methoxymethyl...)
Affinity DataIC50: 0.630nMAssay Description:Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetCalcitonin gene-related peptide type 1 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50342637(N-((6S,9R)-6-(2,3-difluorophenyl)-3-(2-(2,2,2-trif...)
Affinity DataIC50: 0.650nMAssay Description:Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetCathepsin K(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50589633(CHEMBL5177796)
Affinity DataIC50: 0.700nMAssay Description:Inhibition of human Cathepsin KMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
LigandPNGBDBM621909(US20230312528, Example 61 | US11802122, Example 61...)
Affinity DataIC50: 0.700nMAssay Description:The following buffers were used for the Qube recordings: External buffer for NaV1.8 Qube recording: 150 NaCl, 2 CaCl2, 5 KCl, 1 Mg Cl2, 10 HEPES, 12 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2023
Entry Details
Go to US Patent

TargetCannabinoid receptor 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50340311((3-fluoro-2-(trifluoromethyl)phenyl)(1-(morpholino...)
Affinity DataIC50: 0.700nMAssay Description:Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP levelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2011
Entry Details Article
PubMed
LigandPNGBDBM621909(US20230312528, Example 61 | US11802122, Example 61...)
Affinity DataIC50: 0.700nMAssay Description:Compounds were tested on human NaV1.8 and NaV1.5 channels stably expressed in human embryo kidney (HEK) 293 cells. Sodium current measurements on Qub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/13/2023
Entry Details
Go to US Patent

TargetCathepsin K(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50589629(CHEMBL5203617)
Affinity DataIC50: 0.700nMAssay Description:Inhibition of human Cathepsin KMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
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