BDBM65549 3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridinyl]amino]-1-propanol::3-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridyl]amino]propan-1-ol::3-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl]amino]propan-1-ol::3-[[4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]pyridin-2-yl]amino]propan-1-ol::MLS000911536::SMR000463552::cid_644215

SMILES OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1

InChI Key InChIKey=IYNDTACKOAXKBJ-UHFFFAOYSA-N

Data  14 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 65549   

TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM65549(3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridi...)
Affinity DataIC50: <160nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
Palack£

Curated by ChEMBL
LigandPNGBDBM65549(3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridi...)
Affinity DataIC50:  13nMAssay Description:Inhibition of GST-tagged CDK9/CyclinT1 (unknown origin) expressed in Baculovirus infected Sf9 cells using YSPTSPS-2 KK peptide as substrate as substr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase 33(Homo sapiens (Human))
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM65549(3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridi...)
Affinity DataEC50:  5.22E+3nMAssay Description:Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM65549(3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridi...)
Affinity DataIC50: <160nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetX-box-binding protein 1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM65549(3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridi...)
Affinity DataIC50:  690nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM65549(3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridi...)
Affinity DataIC50: <5.20nMAssay Description:Inhibition of CDK2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM65549(3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridi...)
Affinity DataIC50: <5.20nMAssay Description:Inhibition of CDK1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM65549(3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridi...)
Affinity DataIC50:  800nMAssay Description:Inhibition of mTORMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase SMG1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM65549(3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridi...)
Affinity DataIC50:  110nMAssay Description:Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 5 activator 1(Homo sapiens (Human))
Palack£

Curated by ChEMBL
LigandPNGBDBM65549(3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridi...)
Affinity DataIC50:  10nMAssay Description:Inhibition of GST-tagged CDK5/p25 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate as substrate in presence...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Homo sapiens (Human))
Palack£

Curated by ChEMBL
LigandPNGBDBM65549(3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridi...)
Affinity DataIC50:  26nMAssay Description:Inhibition of His-tagged CDK1/cyclin B1 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate in presence of [ga...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Palack£

Curated by ChEMBL
LigandPNGBDBM65549(3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridi...)
Affinity DataIC50:  3nMAssay Description:Inhibition of His-tagged CDK2/cyclin E (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate in presence of [gam...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Palack£

Curated by ChEMBL
LigandPNGBDBM65549(3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridi...)
Affinity DataIC50:  4nMAssay Description:Inhibition of GST-tagged CDK2/cyclin A2 (unknown origin) expressed in Escherichia coli using histone H1 as substrate in presence of [gamma-33P]-ATP b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
Palack£

Curated by ChEMBL
LigandPNGBDBM65549(3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridi...)
Affinity DataIC50:  216nMAssay Description:Inhibition of GST-tagged CDK4/cyclin D1 (unknown origin) expressed in Baculovirus infected Sf9 cells using RPPTLSPIPHIPR peptide as substrate in pres...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM65549(3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridi...)
Affinity DataIC50:  200nMAssay Description:Inhibition of GST-tagged CDK7/cyclinH/MAT1 (unknown origin) expressed in Baculovirus infected Sf9 cells using YSPTSPS-2 KK peptide as substrate as su...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM65549(3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridi...)
Affinity DataEC50:  213nMAssay Description:Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay