BDBM50096775 CHEMBL431678::Cyanoguanidine derivative
SMILES: O[C@@H](CNCCc1ccc(NC(Nc2ccc3N(CCc3c2)c2nc(cs2)-c2ccc(OC(F)(F)F)cc2)=NC#N)cc1)c1cccnc1
InChI Key: InChIKey=DUHIBZQWPXSVSJ-YTTGMZPUSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50096775 (CHEMBL431678 | Cyanoguanidine derivative) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells | Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50096775 (CHEMBL431678 | Cyanoguanidine derivative) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 41 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of hepatitis c virus Non structural protein 3 protease/Non structural protein 4A protease | Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-3 adrenergic receptor (Homo sapiens (Human)) | BDBM50096775 (CHEMBL431678 | Cyanoguanidine derivative) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description In vitro efficacy at human beta-3 adrenergic receptor. | Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50096775 (CHEMBL431678 | Cyanoguanidine derivative) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells | Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ | |||||||||||
More data for this Ligand-Target Pair |