BDBM50088301 (E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)tetrahydro-2H-pyran-4-aminium chloride::(TAK779)Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride::CHEMBL41275::CHEMBL64322::Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride::Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride(TAK-779)::N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)-N,N-dimethyl-tetrahydro-2H-pyran-4-aminium chloride::TAK-779
SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1
InChI Key InChIKey=XNHZXMPLVSJQFK-UHFFFAOYSA-O
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 40 hits for monomerid = 50088301
Affinity DataKi: 1.10nMAssay Description:Antagonist at CCR5 (unknown origin) assessed as inhibitory constantMore data for this Ligand-Target Pair
Affinity DataKi: 1.40nMAssay Description:Inhibitory activity of the compound against specific binding of [125I]-MIP-1 alpha to human CCR5 receptorMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataKi: 2nMAssay Description:Displacement of [125I]-CCL2 from human CCR2 expressed in U2OS cells incubated for 150 mins by scintillation spectrometryMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 27nMAssay Description:Inhibitory effect of the compound on the binding of [125I]- MCP-1 to C-C chemokine receptor type 2-expressing CHO cellsMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 1(Homo sapiens (Human))
Takeda Chemical Industries
Curated by ChEMBL
Takeda Chemical Industries
Curated by ChEMBL
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibitory effect of the compound on the binding of [125I]-RANTES to C-C chemokine receptor type 1-expressing CHO cellsMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Takeda Chemical Industries
Curated by ChEMBL
Takeda Chemical Industries
Curated by ChEMBL
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibitory effect of the compound on the binding of [125I]-TARC to C-C chemokine receptor type 4-expressing CHO cellsMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 27nMAssay Description:Compound was evaluated for the antagonist activity against C-C chemokine receptor type 2More data for this Ligand-Target Pair
Affinity DataIC50: 1.40nMAssay Description:Compound was evaluated for the antagonist activity against C-C chemokine receptor type 5More data for this Ligand-Target Pair
Affinity DataIC50: 1.40nMAssay Description:Displacement of [125I]RANTES from CCR5 expressed in CHO cellsMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 0.950nMAssay Description:Antagonist activity against human CCR2B expressed in Chem-1 cells assessed as inhibition of human CCL2-induced intracellular calcium flux incubated f...More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Mus musculus)
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 2.30E+4nMAssay Description:Antagonist activity against mouse CCR2B expressed in human U2OS cells co-expressing beta-arrestin assessed as inhibition of mouse CCL2-induced beta-a...More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 0.25nMAssay Description:Displacement of [125I]MCP1 from CCR2 (unknown origin) expressed in CHOK1 cellsMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 0.0300nMAssay Description:Displacement of [125I]MCP1 from CCR2/CXCR4 (unknown origin) expressed in CHOK1 cellsMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 0.0800nMAssay Description:Displacement of [125I]SDF1alpha from CCR2/CXCR4 (unknown origin) expressed in CHOK1 cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 1.40nMAssay Description:Inhibition of CCR5 (unknown origin)More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 28nMAssay Description:Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 27nMAssay Description:Inhibition of chemotactic protein to CCR2bMore data for this Ligand-Target Pair
Affinity DataIC50: 1.20nMAssay Description:Inhibition of chemotactic protein to CCR5More data for this Ligand-Target Pair
Affinity DataIC50: 1.40nMAssay Description:Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5More data for this Ligand-Target Pair
Affinity DataIC50: 1.40nMAssay Description:Binding affinity to CCR5More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 27nMAssay Description:Binding affinity to CCR2More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 27nMAssay Description:Inhibitory activity of the compound against C-C chemokine receptor type 2 (antagonist activity)More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 12nMAssay Description:Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...More data for this Ligand-Target Pair
Affinity DataIC50: 1.40nMAssay Description:Displacement of [125I]RANTES from human CCR5 expressed in CHO cells after 40 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 50nMAssay Description:Displacement of [3H]INCB3344 from human CCR2 expressed in human U2OS cells after 120 mins by scintillation spectrometric analysisMore data for this Ligand-Target Pair
Affinity DataEC50: 7nMAssay Description:Inhibition of recombinant CYP1B1 (unknown origin) expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after...More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 0.950nMAssay Description:Displacement of [3H]TAK-779 from CCR5 (unknown origin) after 120 mins by scintillation counting methodMore data for this Ligand-Target Pair
Affinity DataIC50: 2nMAssay Description:Positive allosteric modulation of human CCR5 expressed in HEK293T cells co-expressing CAMYEL assessed as increase in CCL4-induced inhibition of forsk...More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 27nMAssay Description:Antagonist activity at human CCR2b expressed in human Chem1 cells assessed as inhibition of human recombinant CCL2 induced Ca2+ mobilization preincub...More data for this Ligand-Target Pair
TargetEnvelope glycoprotein gp160(Human immunodeficiency virus type 1 group M subtyp...)
Duke University Medical Center
Curated by ChEMBL
Duke University Medical Center
Curated by ChEMBL
Affinity DataIC50: 96.8nMAssay Description:Inhibition of HIV1 (isolate YU2) envelope glycoprotein 120-mediated membrane fusion between virus-transfected african green monkey COS cells and huma...More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 27nMAssay Description:Antagonist activity at Homo sapiens (human) CCR2 receptorMore data for this Ligand-Target Pair
Affinity DataIC50: 1.40nMAssay Description:Inhibition of CCR7 (unknown origin)More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 27nMAssay Description:Inhibition of CCR2 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 6nMAssay Description:Antagonist activity at human TEV cleavage site-linked CCR5 expressed in human U2OS cells harboring beta-lactamase reporter gene assessed as inhibitio...More data for this Ligand-Target Pair
Affinity DataIC50: 3.13E+4nMAssay Description:Inhibition of human recombinant CXCR3More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Westf£Lische Wilhelms-Universit£T M£Nster
Curated by ChEMBL
Affinity DataIC50: 27nMAssay Description:Antagonist activity at CCR2 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 1.40nMAssay Description:Inhibitory effect on Chemokine binding to C-C chemokine receptor type 5 using [125I]-RANTESMore data for this Ligand-Target Pair
Affinity DataIC50: 1.40nMAssay Description:Antagonist activity at CCR5 (unknown origin)More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 3(Homo sapiens (Human))
Takeda Chemical Industries
Curated by ChEMBL
Takeda Chemical Industries
Curated by ChEMBL
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibitory effect of the compound on the binding of [125I]- eotaxin to C-C chemokine receptor type 3- expressing CHO cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 1.80nMAssay Description:Inhibitory effect on Chemokine binding to C-C chemokine receptor type 5 using [125I]-RANTESMore data for this Ligand-Target Pair