Compounds in cluster

37 molecules are shown

Wt: 348.3 BDBM50229594 Purchase	Wt: 352.8 BDBM50229596 Purchase	Wt: 394.8 BDBM50255226 Purchase	Wt: 401.4 BDBM50266889 Purchase	Wt: 294.3 BDBM50316335 Purchase
Wt: 348.3 BDBM50390839 Purchase	Wt: 282.2 BDBM50421097 Purchase

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50229594,50229596,50255226,50266889,50316335,50390839,50421097
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Translocator protein (Rattus norvegicus (rat))	BDBM50266889 (CHEMBL513922 \| N-benzyl-N-ethyl-2-(7-methyl-8-oxo-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]PK11195 from PBR receptor in rat brain membrane				Bioorg Med Chem Lett 19: 1707-10 (2009) Article DOI: 10.1016/j.bmcl.2009.01.093 BindingDB Entry DOI: 10.7270/Q2C82B6C
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50266889 (CHEMBL513922 \| N-benzyl-N-ethyl-2-(7-methyl-8-oxo-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]-PK-11195 from TPSO in Sprague-Dawley rat brain homogenate after 30 mins by gamma counting				J Med Chem 54: 6040-9 (2011) Article DOI: 10.1021/jm200516a BindingDB Entry DOI: 10.7270/Q2C53N16
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50229594 (CHEMBL253597 \| N-(2-methoxybenzyl)-N-(4-phenoxypyr...) Show SMILES COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Binding affinity to PBR in Sprague-Dawley rat mitochondrial tissue				J Med Chem 51: 17-30 (2008) Article DOI: 10.1021/jm0707370 BindingDB Entry DOI: 10.7270/Q2N58M32
National Institute of Mental Health Curated by ChEMBL					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50229594 (CHEMBL253597 \| N-(2-methoxybenzyl)-N-(4-phenoxypyr...) Show SMILES COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of rat TSPO				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
Stanford University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50229596 (1-(2-chlorophenyl)-N-methyl-N-[(1S)-1-methylpropyl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Binding affinity to PBR in Sprague-Dawley rat mitochondrial tissue				J Med Chem 51: 17-30 (2008) Article DOI: 10.1021/jm0707370 BindingDB Entry DOI: 10.7270/Q2N58M32
National Institute of Mental Health Curated by ChEMBL					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50255226 ((7-chloro-N,N,5-trimethyl-4-oxo-3-phenyl-3,5-dihyd...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm / CEA / Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]-PK11195 from rat heart membrane TSPO				Eur J Med Chem 101: 736-45 (2015) Article DOI: 10.1016/j.ejmech.2015.07.033 BindingDB Entry DOI: 10.7270/Q26H4K6W
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50390839 (CHEMBL2070785) Show SMILES COc1cccc(CN(C(C)=O)c2cnccc2Oc2ccccc2)c1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GE Healthcare Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins				Bioorg Med Chem Lett 22: 5795-800 (2012) Article DOI: 10.1016/j.bmcl.2012.07.093 BindingDB Entry DOI: 10.7270/Q29K4CBT
GE Healthcare Curated by ChEMBL					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50229594 (CHEMBL253597 \| N-(2-methoxybenzyl)-N-(4-phenoxypyr...) Show SMILES COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1 Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human TSPO				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
Stanford University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50229594 (CHEMBL253597 \| N-(2-methoxybenzyl)-N-(4-phenoxypyr...) Show SMILES COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1 Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Binding affinity to PBR in human mitochondrial tissue				J Med Chem 51: 17-30 (2008) Article DOI: 10.1021/jm0707370 BindingDB Entry DOI: 10.7270/Q2N58M32
National Institute of Mental Health Curated by ChEMBL					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50229596 (1-(2-chlorophenyl)-N-methyl-N-[(1S)-1-methylpropyl...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Binding affinity to PBR in human mitochondrial tissue				J Med Chem 51: 17-30 (2008) Article DOI: 10.1021/jm0707370 BindingDB Entry DOI: 10.7270/Q2N58M32
National Institute of Mental Health Curated by ChEMBL					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50421097 (CHEMBL2088355) Show SMILES CN(C(=O)Cn1c2ccccc2oc1=O)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 20: 5568-82 (2012) Article DOI: 10.1016/j.bmc.2012.07.023 BindingDB Entry DOI: 10.7270/Q2DF6SGW
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50229594 (CHEMBL253597 \| N-(2-methoxybenzyl)-N-(4-phenoxypyr...) Show SMILES COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				J Med Chem 51: 17-30 (2008) Article DOI: 10.1021/jm0707370 BindingDB Entry DOI: 10.7270/Q2N58M32
National Institute of Mental Health Curated by ChEMBL					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50229594 (CHEMBL253597 \| N-(2-methoxybenzyl)-N-(4-phenoxypyr...) Show SMILES COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Binding affinity to GABA alpha-6-beta-2-gamma-2 receptor				J Med Chem 51: 17-30 (2008) Article DOI: 10.1021/jm0707370 BindingDB Entry DOI: 10.7270/Q2N58M32
National Institute of Mental Health Curated by ChEMBL					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50229594 (CHEMBL253597 \| N-(2-methoxybenzyl)-N-(4-phenoxypyr...) Show SMILES COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Binding affinity to GABA alpha-1-beta-1-gamma-2 receptor				J Med Chem 51: 17-30 (2008) Article DOI: 10.1021/jm0707370 BindingDB Entry DOI: 10.7270/Q2N58M32
National Institute of Mental Health Curated by ChEMBL					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50229596 (1-(2-chlorophenyl)-N-methyl-N-[(1S)-1-methylpropyl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Magna Graecia di Catanzaro Curated by ChEMBL					Assay Description Test in vitro, for potential ability to displace [3H]1 from PBR in rat brain cortex				J Med Chem 44: 1134-50 (2001) BindingDB Entry DOI: 10.7270/Q2G161KM
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50255226 ((7-chloro-N,N,5-trimethyl-4-oxo-3-phenyl-3,5-dihyd...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Binding affinity to human PBR				Bioorg Med Chem 16: 6145-55 (2008) Article DOI: 10.1016/j.bmc.2008.04.046 BindingDB Entry DOI: 10.7270/Q26Q1Z4G
Emory University Curated by ChEMBL					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50255226 ((7-chloro-N,N,5-trimethyl-4-oxo-3-phenyl-3,5-dihyd...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a
Brain and Mind Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]SSR180575 from TSPO in rat cortex				J Med Chem 52: 581-92 (2009) Article DOI: 10.1021/jm8011678 BindingDB Entry DOI: 10.7270/Q2222VP0
Brain and Mind Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50229594 (CHEMBL253597 \| N-(2-methoxybenzyl)-N-(4-phenoxypyr...) Show SMILES COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1 Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2020.112924 BindingDB Entry DOI: 10.7270/Q25D8WSD
TBA					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50316335 (CHEMBL1095616 \| rac-3-ethoxy-7-methyl-5-phenyl-1H-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from peripheral benzodiazepine receptor in Wistar rat brain synaptosomal membrane after 120 mins by scintillation countin...				Eur J Med Chem 45: 1346-51 (2010) Article DOI: 10.1016/j.ejmech.2009.12.027 BindingDB Entry DOI: 10.7270/Q2RX9C7V
					More data for this Ligand-Target Pair