BDBM50473604 CHEMBL48767

SMILES: O[C@H]1[C@@H](Cc2cc3OCOc3cc12)N1CCC(CC1)c1cccc2OCCOc12

InChI Key: InChIKey=YBMCLZFSNBQZAE-XMSQKQJNSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50473604   

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))	BDBM50473604 (CHEMBL48767) Show SMILES O[C@H]1[C@@H](Cc2cc3OCOc3cc12)N1CCC(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C23H25NO5/c25-22-17-12-21-20(28-13-29-21)11-15(17)10-18(22)24-6-4-14(5-7-24)16-2-1-3-19-23(16)27-9-8-26-19/h1-3,11-12,14,18,22,25H,4-10,13H2/t18-,22-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.525	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by ChEMBL					Assay Description Binding affinity at human 5-hydroxytryptamine 1A receptor by inhibition of [3H]8-OH-DPAT binding in Chinese hamster ovary cell line				J Med Chem 45: 165-76 (2002) Article DOI: 10.1021/jm010975+ BindingDB Entry DOI: 10.7270/Q25D8VK9
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50473604 (CHEMBL48767) Show SMILES O[C@H]1[C@@H](Cc2cc3OCOc3cc12)N1CCC(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C23H25NO5/c25-22-17-12-21-20(28-13-29-21)11-15(17)10-18(22)24-6-4-14(5-7-24)16-2-1-3-19-23(16)27-9-8-26-19/h1-3,11-12,14,18,22,25H,4-10,13H2/t18-,22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by ChEMBL					Assay Description Binding affinity at Alpha-1 adrenergic receptor by inhibition of [3H]-prazosin binding to rat cortex				J Med Chem 45: 165-76 (2002) Article DOI: 10.1021/jm010975+ BindingDB Entry DOI: 10.7270/Q25D8VK9
					More data for this Ligand-Target Pair