BDBM31831 quinazoline-pyrazolourea hybrid compound, 3e

SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ncnc3ccc(N)cc23)c1)C(C)(C)C

InChI Key InChIKey=MWDKKNFEOXEAEC-UHFFFAOYSA-N

Data  6 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 31831   

TargetProto-oncogene tyrosine-protein kinase Src(Gallus gallus (Chicken))
Chemical Genomics Centre of The Max Planck Society

LigandPNGBDBM31831(quinazoline-pyrazolourea hybrid compound, 3e)
Affinity DataIC50:  235nM Kd:  239nMpH: 7.0 T: 2°CAssay Description:IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProto-oncogene tyrosine-protein kinase Src [251-533,T338M](Gallus gallus (Chicken))
Chemical Genomics Centre of The Max Planck Society

LigandPNGBDBM31831(quinazoline-pyrazolourea hybrid compound, 3e)
Affinity DataIC50:  3.68E+4nMpH: 7.0 T: 2°CAssay Description:IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Chemical Genomics Centre Of The Max Planck Society

Curated by ChEMBL
LigandPNGBDBM31831(quinazoline-pyrazolourea hybrid compound, 3e)
Affinity DataIC50:  420nMAssay Description:Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 9(Homo sapiens (Human))
Chemical Genomics Centre Of The Max Planck Society

Curated by ChEMBL
LigandPNGBDBM31831(quinazoline-pyrazolourea hybrid compound, 3e)
Affinity DataIC50:  1.20E+3nMAssay Description:Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 9(Homo sapiens (Human))
Chemical Genomics Centre Of The Max Planck Society

Curated by ChEMBL
LigandPNGBDBM31831(quinazoline-pyrazolourea hybrid compound, 3e)
Affinity DataIC50:  150nMAssay Description:Inhibition of JNK2 active form by HTRF assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Chemical Genomics Centre Of The Max Planck Society

Curated by ChEMBL
LigandPNGBDBM31831(quinazoline-pyrazolourea hybrid compound, 3e)
Affinity DataIC50:  320nMAssay Description:Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells by HTRF assayMore data for this Ligand-Target Pair