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(CN2C(=CSC2=N1)CS/C(=N\C3CCCCC3)/NC4CCCCC4)C

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
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50247128   

TargetC-X-C chemokine receptor type 4(Human)
Griffin Discoveries

Curated by ChEMBL
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
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-X-C chemokine receptor type 4(Human)
Griffin Discoveries

Curated by ChEMBL
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
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 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 Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
Griffin Discoveries

Curated by ChEMBL
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
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-X-C chemokine receptor type 4(Human)
Griffin Discoveries

Curated by ChEMBL
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
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-X-C chemokine receptor type 4(Human)
Griffin Discoveries

Curated by ChEMBL
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
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-X-C chemokine receptor type 4(Human)
Griffin Discoveries

Curated by ChEMBL
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
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-X-C chemokine receptor type 4(Human)
Griffin Discoveries

Curated by ChEMBL
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
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-X-C chemokine receptor type 4(Human)
Griffin Discoveries

Curated by ChEMBL
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
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-X-C chemokine receptor type 4(Human)
Griffin Discoveries

Curated by ChEMBL
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
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-X-C chemokine receptor type 4(Human)
Griffin Discoveries

Curated by ChEMBL
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
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-X-C chemokine receptor type 4(Human)
Griffin Discoveries

Curated by ChEMBL
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
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-X-C chemokine receptor type 4(Human)
Griffin Discoveries

Curated by ChEMBL
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
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-X-C chemokine receptor type 4(Human)
Griffin Discoveries

Curated by ChEMBL
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
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 1A2(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 CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
Griffin Discoveries

Curated by ChEMBL
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
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-X-C chemokine receptor type 4(Human)
Griffin Discoveries

Curated by ChEMBL
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
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-X-C chemokine receptor type 4(Human)
Griffin Discoveries

Curated by ChEMBL
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
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-X-C chemokine receptor type 4(Human)
Griffin Discoveries

Curated by ChEMBL
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
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-X-C chemokine receptor type 4(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
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC-X-C chemokine receptor type 4(Human)
Griffin Discoveries

Curated by ChEMBL
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
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPotassium voltage-gated channel subfamily H member 2(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 Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(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 Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 3A4(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 CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 2D6(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 CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C19(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 CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C9(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 CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed