BDBM50130451 CHEMBL104692::N-[3-(1-Methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-nitro-benzamide
SMILES: CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(cc3)[N+]([O-])=O)nc12
InChI Key: InChIKey=JAYOKUDGYAUIEC-UHFFFAOYSA-N
Data: 4 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Serotonin (5-HT) receptor (Homo sapiens (Human)) | BDBM50130451 (CHEMBL104692 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description In vitro binding affinity was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 1F receptor | J Med Chem 46: 3060-71 (2003) Article DOI: 10.1021/jm030020m BindingDB Entry DOI: 10.7270/Q21V5DCB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50130451 (CHEMBL104692 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description In vitro binding affinity of the compound was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 1A recepto... | J Med Chem 46: 3060-71 (2003) Article DOI: 10.1021/jm030020m BindingDB Entry DOI: 10.7270/Q21V5DCB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1B (Homo sapiens (Human)) | BDBM50130451 (CHEMBL104692 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description In vitro binding affinity of the compound was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 1B recepto... | J Med Chem 46: 3060-71 (2003) Article DOI: 10.1021/jm030020m BindingDB Entry DOI: 10.7270/Q21V5DCB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50130451 (CHEMBL104692 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description In vitro binding affinity of the compound was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 1D recepto... | J Med Chem 46: 3060-71 (2003) Article DOI: 10.1021/jm030020m BindingDB Entry DOI: 10.7270/Q21V5DCB | |||||||||||
More data for this Ligand-Target Pair |