BDBM12107 1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole 15::4-(4-Methyl-piperazin-1-yl)-N-[5-(2-thiophen-2-yl-acetyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]-benzamide::4-(4-methylpiperazin-1-yl)-N-{5-[2-(thiophen-2-yl)acetyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}benzamide::5-Amido-pyrrolopyrazole 3::CHEMBL516110
SMILES: CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1cccs1
InChI Key: InChIKey=BMCKWRUTJXVUFF-UHFFFAOYSA-N
Data: 5 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aurora kinase A (Homo sapiens (Human)) | BDBM12107 (1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole 15 | 4-(4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 65 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Nerviano Medical Sciences | Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in... | J Med Chem 49: 7247-51 (2006) Article DOI: 10.1021/jm060897w BindingDB Entry DOI: 10.7270/Q2NS0S4R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase A (Homo sapiens (Human)) | BDBM12107 (1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole 15 | 4-(4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 65 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Nerviano Medical Sciences | Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in... | J Med Chem 48: 3080-4 (2005) Article DOI: 10.1021/jm049076m BindingDB Entry DOI: 10.7270/Q2FF3QKK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase A (Homo sapiens (Human)) | BDBM12107 (1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole 15 | 4-(4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL | Assay Description Inhibition of aurora A kinase | J Med Chem 52: 2629-51 (2009) Checked by Author Article DOI: 10.1021/jm8012129 BindingDB Entry DOI: 10.7270/Q2B85920 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bcr-Abl (Homo sapiens (Human)) | BDBM12107 (1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole 15 | 4-(4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
The First People's Hospital of Hangzhou Curated by ChEMBL | Assay Description Inhibition of BCR-ABL kinase (unknown origin) | Bioorg Med Chem Lett 23: 2442-50 (2013) Article DOI: 10.1016/j.bmcl.2013.01.113 BindingDB Entry DOI: 10.7270/Q2ZG6TMD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human)) | BDBM12107 (1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole 15 | 4-(4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University Curated by ChEMBL | Assay Description Inhibition of PLK1 (unknown origin) | Bioorg Med Chem Lett 18: 4972-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.033 BindingDB Entry DOI: 10.7270/Q26973DV | |||||||||||
More data for this Ligand-Target Pair |