BDBM50473600 CHEMBL49838

SMILES: COc1cc2C[C@H]([C@H](O)c2cc1OC)N1CCC(CC1)c1cccc2OCCOc12

InChI Key: InChIKey=GDTLAFJXRJCXAH-AUSIDOKSSA-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 = 50473600   

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))	BDBM50473600 (CHEMBL49838) Show SMILES COc1cc2C[C@H]([C@H](O)c2cc1OC)N1CCC(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C24H29NO5/c1-27-21-13-16-12-19(23(26)18(16)14-22(21)28-2)25-8-6-15(7-9-25)17-4-3-5-20-24(17)30-11-10-29-20/h3-5,13-15,19,23,26H,6-12H2,1-2H3/t19-,23-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	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))	BDBM50473600 (CHEMBL49838) Show SMILES COc1cc2C[C@H]([C@H](O)c2cc1OC)N1CCC(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C24H29NO5/c1-27-21-13-16-12-19(23(26)18(16)14-22(21)28-2)25-8-6-15(7-9-25)17-4-3-5-20-24(17)30-11-10-29-20/h3-5,13-15,19,23,26H,6-12H2,1-2H3/t19-,23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	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