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Found 2095 with Last Name = 'shoichet' and Initial = 'bk'
TargetHistamine H1 receptor(Homo sapiens (Human))
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50281817(CHEMBL1712377)
Affinity DataKi:  0.800nMAssay Description:Displacement of [3H]pyrilamine from human HRH1 expressed in HEK cell membranes after 90 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM579543(US11484525, Compound DD-144-ANTAGONIST-Covalent)
Affinity DataKi:  0.930nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Affinity DataKi:  1.5nMAssay Description:Displacement of [3H]cytisine from alpha4beta2 nAChR expressed in human recombinant SH-SY5Y cell membranes after 120 minsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50585913(CHEMBL5093295)
Affinity DataKi:  1.5nMAssay Description:Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50246607(CHEMBL4083241)
Affinity DataKi:  1.60nMAssay Description:Displacement of [3H]cytisine from alpha4beta2 nAChR expressed in human recombinant SH-SY5Y cell membranes after 120 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM50048866(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Affinity DataKi:  2nMAssay Description:Displacement of [3H]-pentazocin from the Sigma1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM50251208(CHEMBL4088272)
Affinity DataKi:  2nMAssay Description:Displacement of [3H]-pentazocin from the Sigma1 receptorMore data for this Ligand-Target Pair
TargetLysine-specific demethylase 4C(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM26113(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Affinity DataKi:  2.20nMAssay Description:Competitive inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using A...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50585914(CHEMBL5079273)
Affinity DataKi:  2.40nMAssay Description:Displacement of [3H]-5-CT from human 5-HT5A receptor at 1 uM incubated for 2 hr by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetSigma intracellular receptor 2(Homo sapiens (Human))
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM50048866(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Affinity DataKi:  2.5nMAssay Description:Displacement of [3H]-DTG from the Sigma2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50585912(CHEMBL5075486)
Affinity DataKi:  3.10nMAssay Description:Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM579540(US11484525, Compound DD-120-D1-covalent-compound)
Affinity DataKi:  3.70nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKappa-type opioid receptor(Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM579486(US11484525, Compound Naloxone)
Affinity DataKi:  3.70nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50585909(CHEMBL5089996)
Affinity DataKi:  4nMAssay Description:Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor [N127C](Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM579486(US11484525, Compound Naloxone)
Affinity DataKi:  4.10nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetMu-type opioid receptor [N127C](Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM579538(US11484525, Compound BD-131LR)
Affinity DataKi:  4.10nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKappa-type opioid receptor(Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM579515(US11484525, Compound DD-88B-S)
Affinity DataKi:  4.5nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKappa-type opioid receptor(Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM579541(US11484525, Compound DD-138)
Affinity DataKi:  4.70nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50448377(CHEMBL3121473)
Affinity DataKi:  4.90nMAssay Description:Displacement of [3H]N-methyl-scopolamine bromide from human recombinant muscarinic M2 receptor expressed in HEK293T cell membranes after 1 hr by liqu...More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM579544(US11484525, Compound DD-158)
Affinity DataKi:  5.60nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM462406(US10780078, Compound DD 297A)
Affinity DataKi:  5.90nMAssay Description:This study supports a structure-based approach for GPCR ligand discovery. These new chemotypes may stabilize receptor conformations not explored prev...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKappa-type opioid receptor(Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM579542(US11484525, Compound DD-139)
Affinity DataKi:  5.90nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetMu-type opioid receptor [N127C](Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM579537(US11484525, Compound DD-34L-ANTAGONIST)
Affinity DataKi:  6.20nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetNociceptin receptor(Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM462406(US10780078, Compound DD 297A)
Affinity DataKi:  6.5nMAssay Description:This study supports a structure-based approach for GPCR ligand discovery. These new chemotypes may stabilize receptor conformations not explored prev...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKappa-type opioid receptor(Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM579539(US11484525, Compound BD-131LS)
Affinity DataKi:  6.5nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50585910(CHEMBL5094012)
Affinity DataKi:  6.70nMAssay Description:Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50585911(CHEMBL5093969)
Affinity DataKi:  6.70nMAssay Description:Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor [N127C](Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM579527(US11484525, Compound DD-57L)
Affinity DataKi:  7.70nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetMu-type opioid receptor [N127C](Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM579522(US11484525, Compound DD-63L-LB-S)
Affinity DataKi:  8.30nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM50253157((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)
Affinity DataKi:  10nMAssay Description:Displacement of [3H]-pentazocin from the Sigma1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase TEM(Escherichia coli)
Università

Curated by ChEMBL
LigandPNGBDBM50225373(CHEMBL396872 | pinacol 5-[(3,4-dichlorophenylamino...)
Affinity DataKi:  10nMAssay Description:Inhibition of Escherichia coli beta-lactamaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor [N127C](Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM579539(US11484525, Compound BD-131LS)
Affinity DataKi:  12nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKappa-type opioid receptor(Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM579538(US11484525, Compound BD-131LR)
Affinity DataKi:  12nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetMu-type opioid receptor [N127C](Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM579520(US11484525, Compound DD-63L-LA-R | US11484525, Com...)
Affinity DataKi:  14nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetDelta-type opioid receptor(Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM579538(US11484525, Compound BD-131LR)
Affinity DataKi:  17nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKappa-type opioid receptor(Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM50518036(CHEMBL4467777 | US11484525, Compound BD-122LS-PZM2...)
Affinity DataKi:  18nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetMu-type opioid receptor [N127C](Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM579543(US11484525, Compound DD-144-ANTAGONIST-Covalent)
Affinity DataKi:  18nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKappa-type opioid receptor(Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM579520(US11484525, Compound DD-63L-LA-R | US11484525, Com...)
Affinity DataKi:  19nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetHistamine H1 receptor(Homo sapiens (Human))
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50281507(CHEMBL4161436)
Affinity DataKi:  19nMAssay Description:Displacement of [3H]pyrilamine from human HRH1 expressed in HEK cell membranes after 90 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Escherichia coli)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50115618(2-[(2-Amino-thiazol-4-yl)-(dihydroxyboranylmethyl-...)
Affinity DataKi:  20nMAssay Description:Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM50253157((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)
Affinity DataKi:  20nMAssay Description:Activity of compound against Muscarinic acetylcholine receptor M1 (CHRM1) by displacement of 3H-QNBMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Escherichia coli)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM39816(Acylglycineboronic acid, 15)
Affinity DataKi:  20nMpH: 7.0Assay Description:Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM579522(US11484525, Compound DD-63L-LB-S)
Affinity DataKi:  22nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetMu-type opioid receptor [N127C](Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM579557(US11484525, Compound DD198)
Affinity DataKi:  22nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKappa-type opioid receptor(Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM579486(US11484525, Compound Naloxone)
Affinity DataKi:  23nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM50246733(CHEMBL4100938)
Affinity DataKi:  23nMAssay Description:Displacement of [3H]N-methyl-scopolamine bromide from human recombinant muscarinic M1 receptor expressed in HEK293T cell membranes after 1 hr by liqu...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor [N127C](Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM579533(US11484525, Compound DD-46L)
Affinity DataKi:  25nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetMu-type opioid receptor [N127C](Homo sapiens (Human))
The Regents of The University of California

US Patent
LigandPNGBDBM21015((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Affinity DataKi:  25nMAssay Description:Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSigma intracellular receptor 2(Homo sapiens (Human))
Qbi Covid-19 Research Group (Qcrg)

Curated by ChEMBL
LigandPNGBDBM50253157((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)
Affinity DataKi:  25nMAssay Description:Displacement of [3H]-DTG from the Sigma2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Escherichia coli)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM26139(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Affinity DataKi:  27nMAssay Description:Inhibitory activity against E. coli AmpC beta-lactamase.More data for this Ligand-Target Pair
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