BDBM50473608 CHEMBL298279

SMILES: COc1ccc2[C@@H](O)[C@@H](Cc2c1)N1CCN(CC1)c1cccc2OCCOc12

InChI Key: InChIKey=GMBUBVLUQFAQMU-TZIWHRDSSA-N

Data: 4 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 4 hits for monomerid = 50473608   

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))	BDBM50473608 (CHEMBL298279) Show SMILES COc1ccc2[C@@H](O)[C@@H](Cc2c1)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C22H26N2O4/c1-26-16-5-6-17-15(13-16)14-19(21(17)25)24-9-7-23(8-10-24)18-3-2-4-20-22(18)28-12-11-27-20/h2-6,13,19,21,25H,7-12,14H2,1H3/t19-,21-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50473608 (CHEMBL298279) Show SMILES COc1ccc2[C@@H](O)[C@@H](Cc2c1)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C22H26N2O4/c1-26-16-5-6-17-15(13-16)14-19(21(17)25)24-9-7-23(8-10-24)18-3-2-4-20-22(18)28-12-11-27-20/h2-6,13,19,21,25H,7-12,14H2,1H3/t19-,21-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	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 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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50473608 (CHEMBL298279) Show SMILES COc1ccc2[C@@H](O)[C@@H](Cc2c1)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C22H26N2O4/c1-26-16-5-6-17-15(13-16)14-19(21(17)25)24-9-7-23(8-10-24)18-3-2-4-20-22(18)28-12-11-27-20/h2-6,13,19,21,25H,7-12,14H2,1H3/t19-,21-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.60	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))	BDBM50473608 (CHEMBL298279) Show SMILES COc1ccc2[C@@H](O)[C@@H](Cc2c1)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C22H26N2O4/c1-26-16-5-6-17-15(13-16)14-19(21(17)25)24-9-7-23(8-10-24)18-3-2-4-20-22(18)28-12-11-27-20/h2-6,13,19,21,25H,7-12,14H2,1H3/t19-,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	282	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