BDBM50187390 CHEMBL380369::SUNEPITRON::Sunepitron::sunepitron

SMILES: [H][C@@]12CC[C@H](CN3C(=O)CCC3=O)CN1CCN(C2)c1ncccn1

InChI Key: InChIKey=UXWBIYCPUVWKHP-UHFFFAOYSA-N

Data: 2 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50187390   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50187390 (CHEMBL380369 | SUNEPITRON | Sunepitron | sunepitro...) Show SMILES O=C1CCC(=O)N1C[C@H]1CC[C@H]2CN(CCN2C1)c1ncccn1 Show InChI InChI=1S/C17H23N5O2/c23-15-4-5-16(24)22(15)11-13-2-3-14-12-21(9-8-20(14)10-13)17-18-6-1-7-19-17/h1,6-7,13-14H,2-5,8-12H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Predix Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from adrenergic alpha-1 receptor in rat cerebral cortex cells				J Med Chem 49: 3116-35 (2006) Article DOI: 10.1021/jm0508641 BindingDB Entry DOI: 10.7270/Q2319VHC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50187390 (CHEMBL380369 | SUNEPITRON | Sunepitron | sunepitro...) Show SMILES O=C1CCC(=O)N1C[C@H]1CC[C@H]2CN(CCN2C1)c1ncccn1 Show InChI InChI=1S/C17H23N5O2/c23-15-4-5-16(24)22(15)11-13-2-3-14-12-21(9-8-20(14)10-13)17-18-6-1-7-19-17/h1,6-7,13-14H,2-5,8-12H2	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Predix Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor in HEK293 cells				J Med Chem 49: 3116-35 (2006) Article DOI: 10.1021/jm0508641 BindingDB Entry DOI: 10.7270/Q2319VHC
					More data for this Ligand-Target Pair