BDBM50249522 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide::CHEMBL473417::VISMODEGIB

SMILES CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1

InChI Key InChIKey=BPQMGSKTAYIVFO-UHFFFAOYSA-N

Data  1 KI  28 IC50  8 Kd  5 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50249522   

TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
Federal University Of Parana

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of ABCG2 (unknown origin) expressed in human HEK293 cells assessed as BODIPY-Prazosin uptake and measured after 2 hrs by FACScan flow cyto...More data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetSonic hedgehog protein(Mus musculus (Mouse))
Genentech

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50:  13nMAssay Description:Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSonic hedgehog protein(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50:  1.75E+3nMAssay Description:Inhibition of human SHH pathway in mouse S12 cells assessed as GLI-mediated transcriptional activity after 48 hrs by luciferase reporter gene assay i...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSonic hedgehog protein(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50:  15nMAssay Description:Inhibition of human SHH pathway in mouse S12 cells assessed as GLI-mediated transcriptional activity after 48 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSmoothened homolog(Mus musculus)
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50:  1.5nMAssay Description:Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase re...More data for this Ligand-Target Pair
TargetSmoothened homolog(Homo sapiens (Human))
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50:  20nMAssay Description:Inhibition of smoothened (unknown origin)-mediated Shh signalingMore data for this Ligand-Target Pair
TargetSmoothened homolog(Homo sapiens (Human))
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50:  33nMAssay Description:Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibiti...More data for this Ligand-Target Pair
TargetSonic hedgehog protein(Mus musculus (Mouse))
Genentech

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50:  7.20nMAssay Description:Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSonic hedgehog protein(Mus musculus (Mouse))
Genentech

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50:  3nMAssay Description:Inhibition of SHH in mouse Shh Light2 cells by GLI-responsive firefly luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSmoothened homolog(Mus musculus)
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50:  5nMAssay Description:Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hr...More data for this Ligand-Target Pair
TargetSmoothened homolog(Homo sapiens (Human))
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50:  7nMAssay Description:Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopyMore data for this Ligand-Target Pair
TargetSmoothened homolog(Homo sapiens (Human))
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50:  7nMAssay Description:Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetSmoothened homolog(Mus musculus)
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50:  39nMAssay Description:Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetSmoothened homolog(Mus musculus)
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50:  46nMAssay Description:Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated ...More data for this Ligand-Target Pair
TargetSmoothened homolog(Mus musculus)
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50:  6nMAssay Description:Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GR...More data for this Ligand-Target Pair
TargetSmoothened homolog(Mus musculus)
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50:  46nMAssay Description:Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated ...More data for this Ligand-Target Pair
TargetSmoothened homolog(Homo sapiens (Human))
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50:  74nMAssay Description:Displacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI stain...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50: >3.30E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2D6(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2C19(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 1A2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSmoothened homolog(Homo sapiens (Human))
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50:  0.400nMAssay Description:Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetSmoothened homolog(Homo sapiens (Human))
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50:  13nMAssay Description:Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-b...More data for this Ligand-Target Pair
TargetSmoothened homolog(Mus musculus)
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50:  400nMAssay Description:Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferas...More data for this Ligand-Target Pair
TargetSmoothened homolog(Homo sapiens (Human))
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50:  23nMAssay Description:Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs b...More data for this Ligand-Target Pair
TargetSmoothened homolog(Mus musculus)
Duke University Medical Center

Curated by ChEMBL
LigandPNGBDBM50249522(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Affinity DataIC50:  16nMAssay Description:Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter ge...More data for this Ligand-Target Pair