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BDBM31019 MLS000093991::N-[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]ethyl]-2-(1-ethyl-4-oxo-3-furo[3,4]pyrrolo[3,5-c][1,2,4]triazinyl)propanamide::N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(1-ethyl-4-oxidanylidene-furo[3,4]pyrrolo[3,5-c][1,2,4]triazin-3-yl)propanamide::N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(1-ethyl-4-oxofuro[3,4]pyrrolo[3,5-c][1,2,4]triazin-3-yl)propanamide::N-[2-[4-(2,3-dimethylphenyl)piperazino]ethyl]-2-(1-ethyl-4-keto-furo[3,4]pyrrolo[3,5-c][1,2,4]triazin-3-yl)propionamide::N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-2-(5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)propanamide::SMR000029605::cid_3235665
SMILES: CCc1nn(C(C)C(=O)NCCN2CCN(CC2)c2cccc(C)c2C)c(=O)c2cc3occc3n12
InChI Key: InChIKey=JRAWDWVNMXSWBO-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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM31019 (MLS000093991 | N-[2-[4-(2,3-dimethylphenyl)-1-pipe...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet  | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 5.00E+4 | n/a | n/a | 7.4 | 23 |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2WW7G03 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM31019 (MLS000093991 | N-[2-[4-(2,3-dimethylphenyl)-1-pipe...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description External Assay ID: S1P3_EC50_CS_5HT1e_Agonist Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PN941W | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Complement C1s (Homo sapiens (Human)) | BDBM31019 (MLS000093991 | N-[2-[4-(2,3-dimethylphenyl)-1-pipe...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2MP51PC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Serotonin (5-HT) receptor (Homo sapiens (Human)) | BDBM31019 (MLS000093991 | N-[2-[4-(2,3-dimethylphenyl)-1-pipe...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 2.32E+3 | n/a | n/a | 7.4 | 23 |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2Q52MZM | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
