BDBM50352112 CHEMBL1824266

SMILES: COc1ccc2nc(-c3ccc(OC[C@@H](O)CNC(C)CF)cc3)n(C)c(=O)c2c1

InChI Key: InChIKey=YZOOQGDAWJWLBX-WMCAAGNKSA-N

Data: 3 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 3 hits for monomerid = 50352112   

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
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50352112 (CHEMBL1824266) Show SMILES COc1ccc2nc(-c3ccc(OC[C@@H](O)CNC(C)CF)cc3)n(C)c(=O)c2c1 |r| Show InChI InChI=1S/C22H26FN3O4/c1-14(11-23)24-12-16(27)13-30-17-6-4-15(5-7-17)21-25-20-9-8-18(29-3)10-19(20)22(28)26(21)2/h4-10,14,16,24,27H,11-13H2,1-3H3/t14?,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Displacement of [125I]-Iodopindolol from beta1-adrenergic receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem Lett 21: 5506-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.106 BindingDB Entry DOI: 10.7270/Q25B02VN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50352112 (CHEMBL1824266) Show SMILES COc1ccc2nc(-c3ccc(OC[C@@H](O)CNC(C)CF)cc3)n(C)c(=O)c2c1 |r| Show InChI InChI=1S/C22H26FN3O4/c1-14(11-23)24-12-16(27)13-30-17-6-4-15(5-7-17)21-25-20-9-8-18(29-3)10-19(20)22(28)26(21)2/h4-10,14,16,24,27H,11-13H2,1-3H3/t14?,16-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5HT1A receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem Lett 21: 5506-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.106 BindingDB Entry DOI: 10.7270/Q25B02VN
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50352112 (CHEMBL1824266) Show SMILES COc1ccc2nc(-c3ccc(OC[C@@H](O)CNC(C)CF)cc3)n(C)c(=O)c2c1 |r| Show InChI InChI=1S/C22H26FN3O4/c1-14(11-23)24-12-16(27)13-30-17-6-4-15(5-7-17)21-25-20-9-8-18(29-3)10-19(20)22(28)26(21)2/h4-10,14,16,24,27H,11-13H2,1-3H3/t14?,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Displacement of [125I]-Iodopindolol from beta2-adrenergic receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem Lett 21: 5506-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.106 BindingDB Entry DOI: 10.7270/Q25B02VN
					More data for this Ligand-Target Pair