BDBM50344118 CHEMBL1777976::N-((R)-6-((tert-butylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((R)-3-oxo-1-tosylpiperazin-2-yl)acetamide
SMILES: Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC(C)(C)C)ccc12
InChI Key: InChIKey=SLOODFDSRINSMM-JWQCQUIFSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Bradykinin B1 receptor (Homo sapiens (Human)) | BDBM50344118 (CHEMBL1777976 | N-((R)-6-((tert-butylamino)methyl)...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc. Curated by ChEMBL | Assay Description Antagonist activity at human bradykinin B1 receptor | Bioorg Med Chem Lett 21: 3384-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.115 BindingDB Entry DOI: 10.7270/Q2FX79R6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50344118 (CHEMBL1777976 | N-((R)-6-((tert-butylamino)methyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc. Curated by ChEMBL | Assay Description Inhibition of CYP3A4 preincubated for 30 mins | Bioorg Med Chem Lett 21: 3384-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.115 BindingDB Entry DOI: 10.7270/Q2FX79R6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50344118 (CHEMBL1777976 | N-((R)-6-((tert-butylamino)methyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc. Curated by ChEMBL | Assay Description Inhibition of CYP3A4 | Bioorg Med Chem Lett 21: 3384-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.115 BindingDB Entry DOI: 10.7270/Q2FX79R6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bradykinin B1 receptor (Homo sapiens (Human)) | BDBM50344118 (CHEMBL1777976 | N-((R)-6-((tert-butylamino)methyl)...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.28 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc. Curated by ChEMBL | Assay Description Antagonist activity at human bradykinin B1 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium efflux by aquerin based ... | Bioorg Med Chem Lett 21: 3384-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.115 BindingDB Entry DOI: 10.7270/Q2FX79R6 | |||||||||||
More data for this Ligand-Target Pair |