BDBM50334986 4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1S,5S)-3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-1-phenyl-propyl}-amide::4,4-difluoro-N-((1S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-((1S,3S,5R)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::CHEMBL1201187::MARAVIROC::Selzentry::UK-427857
SMILES CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
InChI Key InChIKey=GSNHKUDZZFZSJB-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 39 hits for monomerid = 50334986
Affinity DataIC50: 4.67nMAssay Description:Antagonist activity against CXCR5 expressed in U87.CD.CXCR5 cells assessed as inhibition of CCL3L1-induced calcium signaling incubated for 10 mins by...More data for this Ligand-Target Pair
Affinity DataKd: 25nMAssay Description:Binding affinity to CCR5More data for this Ligand-Target Pair
Affinity DataIC50: 0.200nMAssay Description:Antagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-ta...More data for this Ligand-Target Pair
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
Affinity DataIC50: 1.10E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
Affinity DataIC50: 5.20nMAssay Description:Displacement of [125I]-RANTES from CCR5 in mouse NIH/3T3 cells after 1 hrMore data for this Ligand-Target Pair
Affinity DataIC50: 0.200nMAssay Description:Inhibition of CCR5 in human TZM-bl cells infected with HIV1 Bal R5 assessed as antiviral activity by measuring reduction in viral infection pre-incub...More data for this Ligand-Target Pair
Affinity DataIC50: 2.20nMAssay Description:Antagonist activity at CCR5 in Gqi5 transfected human MOLT4 cells assessed as inhibition of RANTES-stimulated Ca2+ influx preincubated for 15 mins fo...More data for this Ligand-Target Pair
Affinity DataIC50: 3nMAssay Description:Binding affinity to CCR5More data for this Ligand-Target Pair
Affinity DataIC50: 0.820nMAssay Description:Antagonist activity at human CCR5 receptor expressed in HEK293 cells co-expressing Galpha15 assessed as inhibition of RNATES-induced intracellular ca...More data for this Ligand-Target Pair
Affinity DataIC50: 8nMAssay Description:Antagonist activity at CCR5 (unknown origin) expressed in HEK293 cells co-expressing Galpha16 assessed as intracellular calcium change incubated for ...More data for this Ligand-Target Pair
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 1.44E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 3.10E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) using midazolam as substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 1.49E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) using testosterone as substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 1.60nMAssay Description:Antagonist activity against CCR5 receptor in human TZM-bl cells assessed as inhibition of HIV-1 JR-FL-induced cell-cell fusion between viral envelope...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University of Oxford
Curated by ChEMBL
University of Oxford
Curated by ChEMBL
Affinity DataIC50: 7.94E+4nMAssay Description:Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonW...More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automat...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University of Oxford
Curated by ChEMBL
University of Oxford
Curated by ChEMBL
Affinity DataIC50: 1.26E+5nMAssay Description:Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using I...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University of Oxford
Curated by ChEMBL
University of Oxford
Curated by ChEMBL
Affinity DataIC50: 3.98E+4nMAssay Description:Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assayMore data for this Ligand-Target Pair
Affinity DataIC50: 6.31E+5nMAssay Description:Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platformMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily E/KQT member 1(Human)
University of Oxford
Curated by ChEMBL
University of Oxford
Curated by ChEMBL
Affinity DataIC50: 6.31E+4nMAssay Description:Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using Ion...More data for this Ligand-Target Pair
Affinity DataIC50: 0.370nMAssay Description:Antagonist activity against CCR5 receptor in human TZM-bl cells assessed as inhibition of HIV-1 MGC26-induced cell-cell fusion between viral envelope...More data for this Ligand-Target Pair
Affinity DataIC50: 0.430nMAssay Description:Antagonist activity against CCR5 receptor in human TZM-bl cells assessed as inhibition of HIV-1 YU2-induced cell-cell fusion between viral envelope p...More data for this Ligand-Target Pair
Affinity DataIC50: 1.30nMAssay Description:Antagonist activity against CCR5 receptor in human TZM-bl cells assessed as inhibition of HIV-1 92RW-induced cell-cell fusion between viral envelope ...More data for this Ligand-Target Pair
Affinity DataIC50: 13nMAssay Description:Antagonist activity against CCR5 (unknown origin) expressed in CHO cells co-expressing Galpha16 incubated for 10 mins assessed as inhibition of RANTE...More data for this Ligand-Target Pair
Affinity DataIC50: 25nMAssay Description:Inhibition of CCR5 (unknown origin) expressed in CHO cells assessed as inhibition of RANTES-induced intracellular Ca2+ mobilization after 10 mins by ...More data for this Ligand-Target Pair
Affinity DataIC50: 2.97E+5nMAssay Description:Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.73E+4nMAssay Description:Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 2.55E+5nMAssay Description:Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 14nMAssay Description:Binding affinity at CCR5 receptor by radiolabeled RANTES binding assayMore data for this Ligand-Target Pair
Affinity DataIC50: 0.200nMAssay Description:Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...More data for this Ligand-Target Pair
Affinity DataIC50: 1.40nMAssay Description:Displacement of [128I]RANTES from human CCR5 receptor coexpressed with Galphai6 in CHO cells after 2 hrs by scintillation countingMore data for this Ligand-Target Pair
Affinity DataIC50: 0.200nMAssay Description:Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Crab-eating macaque)
Virginia Commonwealth University
Curated by ChEMBL
Virginia Commonwealth University
Curated by ChEMBL
Affinity DataKi: 0.240nMAssay Description:Displacement of [125I]-MIP-1alpha from CCR5 in rhesus monkey Chem-1 cell membranes after 120 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair