BDBM50127138 2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one::CHEMBL22587::ITRACONAZOLE::Itrizole (TN)::Oriconazole::Sporanox (TN)

SMILES CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O

InChI Key InChIKey=VHVPQPYKVGDNFY-ZPGVKDDISA-N

Data  22 IC50  3 Kd

  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 10 hits for monomerid = 50127138   

TargetC-C chemokine receptor type 4(Homo sapiens (Human))
University Of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50127138(2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...)
Affinity DataIC50:  200nMAssay Description:Inverse agonist activity at CCR4 in human HTLA cells assessed as depression of basal activity incubated for 20 mins by beta arrestin-recruitment medi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
University Of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50127138(2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...)
Affinity DataIC50:  6.00E+3nMAssay Description:Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins with Tween-80-treated compound solution me...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
University Of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50127138(2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...)
Affinity DataIC50:  1.19E+4nMAssay Description:Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins with centrifuged compound solution measure...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
University Of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50127138(2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...)
Affinity DataIC50:  800nMAssay Description:Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruit...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 1(Homo sapiens (Human))
University Of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50127138(2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...)
Affinity DataIC50:  2.08E+4nMAssay Description:Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins with Tween-80-treated compound solution measured on day 4 by bet...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 1(Homo sapiens (Human))
University Of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50127138(2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...)
Affinity DataIC50:  5.00E+3nMAssay Description:Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins with centrifuged compound solution measured on day 4 by beta arr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 1(Homo sapiens (Human))
University Of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50127138(2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...)
Affinity DataIC50:  100nMAssay Description:Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated lucifera...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
University Of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50127138(2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...)
Affinity DataIC50:  1.14E+4nMAssay Description:Inhibition of CCL22-stimulated CCR4 in human HTLA cells pre-incubated for 20 mins with Tween-80-treated compound solution measured on day 4 by beta a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
University Of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50127138(2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...)
Affinity DataIC50:  7.20E+3nMAssay Description:Inhibition of CCL22-stimulated CCR4 in human HTLA cells pre-incubated for 20 mins with centrifuged compound solution measured on day 4 by beta arrest...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
University Of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50127138(2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...)
Affinity DataIC50:  500nMAssay Description:Inhibition of CCL22-stimulated CCR4 in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated luciferase ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed