BDBM50513261 CHEMBL4544457

SMILES: OC(=O)C(O)=O.C(COc1ccccc1)NCC1COC(OC1)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=OPPIZFGAWWSDDB-UHFFFAOYSA-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 = 50513261   

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))	BDBM50513261 (CHEMBL4544457) Show SMILES OC(=O)C(O)=O.C(COc1ccccc1)NCC1COC(OC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H27NO3/c1-4-10-22(11-5-1)25(23-12-6-2-7-13-23)28-19-21(20-29-25)18-26-16-17-27-24-14-8-3-9-15-24/h1-15,21,26H,16-20H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT-1AR transfected in HeLa cells incubated for 30 mins by liquid scintillation counter				Eur J Med Chem 176: 310-325 (2019) Article DOI: 10.1016/j.ejmech.2019.05.024
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50513261 (CHEMBL4544457) Show SMILES OC(=O)C(O)=O.C(COc1ccccc1)NCC1COC(OC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H27NO3/c1-4-10-22(11-5-1)25(23-12-6-2-7-13-23)28-19-21(20-29-25)18-26-16-17-27-24-14-8-3-9-15-24/h1-15,21,26H,16-20H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H] prazosin from human cloned adrenoceptor alpha 1D expressed in CHO cell membrane incubated for 30 mins by liquid scintillation co...				Eur J Med Chem 176: 310-325 (2019) Article DOI: 10.1016/j.ejmech.2019.05.024
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50513261 (CHEMBL4544457) Show SMILES OC(=O)C(O)=O.C(COc1ccccc1)NCC1COC(OC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H27NO3/c1-4-10-22(11-5-1)25(23-12-6-2-7-13-23)28-19-21(20-29-25)18-26-16-17-27-24-14-8-3-9-15-24/h1-15,21,26H,16-20H2	UniProtKB/SwissProt antibodypedia 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
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H] prazosin from human cloned adrenoceptor alpha 1B expressed in CHO cell membrane incubated for 30 mins by liquid scintillation co...				Eur J Med Chem 176: 310-325 (2019) Article DOI: 10.1016/j.ejmech.2019.05.024
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50513261 (CHEMBL4544457) Show SMILES OC(=O)C(O)=O.C(COc1ccccc1)NCC1COC(OC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H27NO3/c1-4-10-22(11-5-1)25(23-12-6-2-7-13-23)28-19-21(20-29-25)18-26-16-17-27-24-14-8-3-9-15-24/h1-15,21,26H,16-20H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H] prazosin from human cloned adrenoceptor alpha 1A expressed in CHO cell membrane incubated for 30 mins by liquid scintillation co...				Eur J Med Chem 176: 310-325 (2019) Article DOI: 10.1016/j.ejmech.2019.05.024
					More data for this Ligand-Target Pair