BDBM50528194 CHEMBL4517408

SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1

InChI Key InChIKey=RKBYYWVZFBATHQ-UHFFFAOYSA-N

Data  36 IC50

PDB links: 1 PDB ID matches 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 36 hits for monomerid = 50528194   

TargetActivin receptor type-1(Homo sapiens (Human))
University Of Toronto

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  13nMAssay Description:Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetTRAF2 and NCK-interacting protein kinase(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  96nMAssay Description:Inhibition of TNIK (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetActivin receptor type-1(Homo sapiens (Human))
University Of Toronto

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  13nMAssay Description:Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetActivin receptor type-1(Homo sapiens (Human))
University Of Toronto

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  8nMAssay Description:Inhibition of ALK2 G328V mutant (unknown origin) by radiometric assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetActivin receptor type-1(Homo sapiens (Human))
University Of Toronto

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  9nMAssay Description:Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetActivin receptor type-1(Homo sapiens (Human))
University Of Toronto

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  13nMAssay Description:Inhibition of ALK2 R258G mutant (unknown origin) by radiometric hotspot assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetActivin receptor type-1(Homo sapiens (Human))
University Of Toronto

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  45nMAssay Description:Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET NanoGl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetTGF-beta receptor type-1(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  2.71E+3nMAssay Description:Inhibition of recombinant human ALK5 expressed in HEK293 cells transfected with CAGA-luciferase and Renilla luciferase reporter after 24 hrs by dual ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetActivin receptor type-1(Homo sapiens (Human))
University Of Toronto

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  6nMAssay Description:Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 G328V mutant (unknown origin) expressed in HEK293 cells incubated for 2 hrs by Na...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetActivin receptor type-1(Homo sapiens (Human))
University Of Toronto

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  16nMAssay Description:Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 G356D mutant (unknown origin) expressed in HEK293 cells incubated for 2 hrs by Na...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetActivin receptor type-1(Homo sapiens (Human))
University Of Toronto

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  7nMAssay Description:Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 Q207D mutant (unknown origin) expressed in HEK293 cells incubated for 2 hrs by Na...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetActivin receptor type-1(Homo sapiens (Human))
University Of Toronto

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  12nMAssay Description:Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 R206H mutant (unknown origin) expressed in HEK293 cells incubated for 2 hrs by Na...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetSerine/threonine-protein kinase receptor R3(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  15nMAssay Description:Inhibition of human ALK1 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetBone morphogenetic protein receptor type-1A(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  428nMAssay Description:Inhibition of human ALK3 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetActivin receptor type-1B(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  1.34E+3nMAssay Description:Inhibition of human ALK4 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetBone morphogenetic protein receptor type-1B(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  68nMAssay Description:Inhibition of human ALK6 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  336nMAssay Description:Inhibition of ABL1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetProtein-tyrosine kinase 6(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  336nMAssay Description:Inhibition of BRK (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetEpithelial discoidin domain-containing receptor 1(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  41nMAssay Description:Inhibition of DDR1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetMisshapen-like kinase 1(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  336nMAssay Description:Inhibition of MINK (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase NLK(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  336nMAssay Description:Inhibition of NLK (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase SIK2(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  336nMAssay Description:Inhibition of SIK2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase kinase kinase 20(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  336nMAssay Description:Inhibition of ZAK (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  1.72E+3nMAssay Description:Inhibition of recombinant human CB1 incubated for 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetAlpha-2A adrenergic receptor(Homo sapiens)
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  2.18E+3nMAssay Description:Inhibition of recombinant human adrenergic alpha2A receptor incubated for 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  8.30E+3nMAssay Description:Inhibition of human ERG expressed in HEK293 cells after 5 mins by IonWorks barracuda patch clamp methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 20 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate incubated for 20 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate incubated for 20 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate incubated for 20 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate incubated for 20 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 20 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 5 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50: >9.00E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate incubated for 10 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetTGF-beta receptor type-1(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  2.43E+3nMAssay Description:Inhibition of human ALK5 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetTGF-beta receptor type-1(Homo sapiens (Human))
Ontario Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50528194(CHEMBL4517408)
Affinity DataIC50:  1.83E+3nMAssay Description:Inhibition of human ALK5 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed