BDBM50015540 CHEMBL431348::N-{4-[5-(3-Cyclopentyl-ureido)-1-methyl-1H-indol-3-ylmethyl]-3-methoxy-benzoyl}-2-methyl-benzenesulfonamide
SMILES: COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
InChI Key: InChIKey=NCHRUPPPIFNPOD-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 |
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Cysteinyl leukotriene receptor 1 (GUINEA PIG) | BDBM50015540 (CHEMBL431348 | N-{4-[5-(3-Cyclopentyl-ureido)-1-me...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals Group Curated by ChEMBL | Assay Description Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes | J Med Chem 33: 1781-90 (1990) BindingDB Entry DOI: 10.7270/Q2862FDP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50015540 (CHEMBL431348 | N-{4-[5-(3-Cyclopentyl-ureido)-1-me...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.49E+3 | n/a | n/a | n/a | n/a |
Goethe University Frankfurt Curated by ChEMBL | Assay Description Partial agonist activity at human PPARgamma LBD expressed HEK293T cells after 12 to 14 hrs by dual-glo luciferase reporter gene assay | J Med Chem 61: 5758-5764 (2018) Article DOI: 10.1021/acs.jmedchem.8b00458 BindingDB Entry DOI: 10.7270/Q2TX3J21 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human)) | BDBM50015540 (CHEMBL431348 | N-{4-[5-(3-Cyclopentyl-ureido)-1-me...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
Goethe University Frankfurt Curated by ChEMBL | Assay Description Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by sp... | J Med Chem 61: 5758-5764 (2018) Article DOI: 10.1021/acs.jmedchem.8b00458 BindingDB Entry DOI: 10.7270/Q2TX3J21 | |||||||||||
More data for this Ligand-Target Pair |