BDBM50247128 (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate::1,3-dicyclohexyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea::CHEMBL460491

SMILES CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1

InChI Key InChIKey=OOSUDWRRWZVFEB-UHFFFAOYSA-N

Data  26 IC50  1 EC50

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50247128   

TargetCytochrome P450 1A2(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))TBA
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50:  1.10nMAssay Description:Inhibition of wild type CXCR4 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50:  5.20E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50:  400nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of human recombinant ERG in CHOK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50:  1.32E+4nMAssay Description:Displacement of [3H]dofetilide from human recombinant ERG expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))TBA
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50:  8nMAssay Description:Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Rattus norvegicus (Rat))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50:  11nMAssay Description:Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))TBA
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50:  1.10nMAssay Description:Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))TBA
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50:  50nMAssay Description:Antagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-i...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))TBA
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50:  10nMAssay Description:Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))TBA
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50:  10nMAssay Description:Displacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assayMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))TBA
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50:  50nMAssay Description:Antagonist activity at human DEF3-RLuc fused CXCR4 receptor expressed in HEK293T cells co-expressing DEF3-Beta-arrestin-2-mVenus assessed as inhibiti...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))TBA
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50:  1.89E+4nMAssay Description:Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D97A mutant expressed in HEK293 cells assessed as inh...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))TBA
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50:  430nMAssay Description:Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D187A mutant expressed in HEK293 cells assessed as in...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))TBA
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50:  223nMAssay Description:Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D171A mutant expressed in HEK293 cells assessed as in...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))TBA
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50:  7.19E+3nMAssay Description:Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 Y116A mutant expressed in HEK293 cells assessed as in...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))TBA
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50:  6.37E+3nMAssay Description:Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 W94A mutant expressed in HEK293 cells assessed as inh...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))TBA
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50:  967nMAssay Description:Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 E288A mutant expressed in HEK293 cells assessed as in...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))TBA
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50:  326nMAssay Description:Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 expressed in HEK293 cells assessed as inhibition of S...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))TBA
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50:  7.40E+3nMAssay Description:Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by immunofluorescence assayMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))TBA
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50:  3.26E+4nMAssay Description:Antagonist activity at CXCR4 (unknown origin) expressed in HOS cells assessed as decrease in SDF1-induced calcium influx incubated for 15 mins follow...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))TBA
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50:  7.40nMAssay Description:Displacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells measured after 90 minsMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))TBA
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50:  33nMAssay Description:Antagonist activity at CXCR4 (unknown origin) expressed in CHO cells assessed as reduction in SDF1-induced intracellular calcium mobilization incubat...More data for this Ligand-Target Pair
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataEC50:  22nMAssay Description:Inhibition of HIV1 3B reverse transcriptase infected in human GHOST CXCR4 cells assessed as reduction in viral replication incubated for 60 to 90 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50247128((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed