BDBM50473589 CHEMBL412357

SMILES: OCC1COc2c(O1)cc(Cl)cc2N1CCN(CC1)[C@@H]1Cc2cc(F)ccc2[C@H]1O

InChI Key: InChIKey=BMMPTUKROUHRLS-QHNQYTFYSA-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 = 50473589   

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))	BDBM50473589 (CHEMBL412357) Show SMILES OCC1COc2c(O1)cc(Cl)cc2N1CCN(CC1)[C@@H]1Cc2cc(F)ccc2[C@H]1O Show InChI InChI=1S/C22H24ClFN2O4/c23-14-9-19(22-20(10-14)30-16(11-27)12-29-22)26-5-3-25(4-6-26)18-8-13-7-15(24)1-2-17(13)21(18)28/h1-2,7,9-10,16,18,21,27-28H,3-6,8,11-12H2/t16?,18-,21-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	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))	BDBM50473589 (CHEMBL412357) Show SMILES OCC1COc2c(O1)cc(Cl)cc2N1CCN(CC1)[C@@H]1Cc2cc(F)ccc2[C@H]1O Show InChI InChI=1S/C22H24ClFN2O4/c23-14-9-19(22-20(10-14)30-16(11-27)12-29-22)26-5-3-25(4-6-26)18-8-13-7-15(24)1-2-17(13)21(18)28/h1-2,7,9-10,16,18,21,27-28H,3-6,8,11-12H2/t16?,18-,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	676	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