BDBM50234078 CHEMBL4087666
SMILES: Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1
InChI Key: InChIKey=KLHOCHQJHXNKAS-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pirin (Homo sapiens (Human)) | BDBM50234078 (CHEMBL4087666) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | PubMed | 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of bisamide probe binding to pirin in human SKOV3 cells by SILAC-based quantitative mass spectrometry pull down assay | J Med Chem 60: 180-201 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J9D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat shock factor protein 1 (Homo sapiens (Human)) | BDBM50234078 (CHEMBL4087666) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | PubMed | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSPA1A mRNA level preincubated for 1 hr followed by 17-AAG ad... | J Med Chem 60: 180-201 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J9D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pirin (Homo sapiens (Human)) | BDBM50234078 (CHEMBL4087666) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | PubMed | n/a | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method | J Med Chem 60: 180-201 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J9D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase B-raf (Homo sapiens (Human)) | BDBM50234078 (CHEMBL4087666) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of recombinant human full length GST-tagged BRAF expressed in baculovirus expression system | ACS Med Chem Lett 9: 1199-1204 (2018) Article DOI: 10.1021/acsmedchemlett.8b00364 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat shock factor protein 1 (Homo sapiens (Human)) | BDBM50234078 (CHEMBL4087666) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi... | J Med Chem 60: 180-201 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J9D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat shock factor protein 1 (Homo sapiens (Human)) | BDBM50234078 (CHEMBL4087666) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi... | J Med Chem 60: 180-201 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J9D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pirin (Homo sapiens (Human)) | BDBM50234078 (CHEMBL4087666) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Displacement of 6-amino-9-(2-((4-((2-((6-((5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)carbamoyl)quinolin-2-yl)oxy)ethyl)amino)-... | ACS Med Chem Lett 9: 1199-1204 (2018) Article DOI: 10.1021/acsmedchemlett.8b00364 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pirin (Homo sapiens (Human)) | BDBM50234078 (CHEMBL4087666) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Displacement of 6-amino-9-(2-((4-((2-((6-((5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)carbamoyl)quinolin-2-yl)oxy)ethyl)amino)-... | ACS Med Chem Lett 9: 1199-1204 (2018) Article DOI: 10.1021/acsmedchemlett.8b00364 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat shock factor protein 1 (Homo sapiens (Human)) | BDBM50234078 (CHEMBL4087666) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | PubMed | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSPA1A mRNA level preincubated for 1 hr followed by 17-AAG ad... | J Med Chem 60: 180-201 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J9D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pirin (Homo sapiens (Human)) | BDBM50234078 (CHEMBL4087666) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | PubMed | n/a | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method | J Med Chem 60: 180-201 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J9D | |||||||||||
More data for this Ligand-Target Pair |