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
PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken)) | BDBM31831 (quinazoline-pyrazolourea hybrid compound, 3e) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 235 | 239 | n/a | n/a | n/a | 7.0 | 23 |
Chemical Genomics Centre of the Max Planck Society | Assay Description IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla... | J Med Chem 52: 3915-26 (2009) Article DOI: 10.1021/jm9002928 BindingDB Entry DOI: 10.7270/Q2VT1QD3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Src Mutant (T338M) (Gallus gallus (Chicken)) | BDBM31831 (quinazoline-pyrazolourea hybrid compound, 3e) | PDB MMDB B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 3.68E+4 | n/a | n/a | n/a | n/a | 7.0 | 23 |
Chemical Genomics Centre of the Max Planck Society | Assay Description IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla... | J Med Chem 52: 3915-26 (2009) Article DOI: 10.1021/jm9002928 BindingDB Entry DOI: 10.7270/Q2VT1QD3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase 14 (Homo sapiens (Human)) | BDBM31831 (quinazoline-pyrazolourea hybrid compound, 3e) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL | Assay 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... | J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Mitogen-activated protein kinase 9 (Homo sapiens (Human)) | BDBM31831 (quinazoline-pyrazolourea hybrid compound, 3e) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL | Assay 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... | J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase 9 (Homo sapiens (Human)) | BDBM31831 (quinazoline-pyrazolourea hybrid compound, 3e) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL | Assay Description Inhibition of JNK2 active form by HTRF assay | J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase 14 (Homo sapiens (Human)) | BDBM31831 (quinazoline-pyrazolourea hybrid compound, 3e) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL | Assay Description Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells by HTRF assay | J Med Chem 53: 357-67 (2010) Article DOI: 10.1021/jm901297e BindingDB Entry DOI: 10.7270/Q29W0FKC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |