BDBM50493056 CHEMBL2419771

SMILES: Cl.COc1ccc2CCOc2c1OCCNC[C@H]1COc2ccccc2O1

InChI Key: InChIKey=RYWXHEQNEXECJD-RSAXXLAASA-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 = 50493056   

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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50493056 (CHEMBL2419771) Show SMILES Cl.COc1ccc2CCOc2c1OCCNC[C@H]1COc2ccccc2O1 |r| Show InChI InChI=1S/C20H23NO5.ClH/c1-22-18-7-6-14-8-10-23-19(14)20(18)24-11-9-21-12-15-13-25-16-4-2-3-5-17(16)26-15;/h2-7,15,21H,8-13H2,1H3;1H/t15-;/m0./s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha-1A adrenoreceptor expressed in CHO cells after 30 mins				J Med Chem 56: 6402-12 (2013) Article DOI: 10.1021/jm400867d BindingDB Entry DOI: 10.7270/Q2NV9N63
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50493056 (CHEMBL2419771) Show SMILES Cl.COc1ccc2CCOc2c1OCCNC[C@H]1COc2ccccc2O1 |r| Show InChI InChI=1S/C20H23NO5.ClH/c1-22-18-7-6-14-8-10-23-19(14)20(18)24-11-9-21-12-15-13-25-16-4-2-3-5-17(16)26-15;/h2-7,15,21H,8-13H2,1H3;1H/t15-;/m0./s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha-1D adrenoreceptor expressed in CHO cells after 30 mins				J Med Chem 56: 6402-12 (2013) Article DOI: 10.1021/jm400867d BindingDB Entry DOI: 10.7270/Q2NV9N63
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50493056 (CHEMBL2419771) Show SMILES Cl.COc1ccc2CCOc2c1OCCNC[C@H]1COc2ccccc2O1 |r| Show InChI InChI=1S/C20H23NO5.ClH/c1-22-18-7-6-14-8-10-23-19(14)20(18)24-11-9-21-12-15-13-25-16-4-2-3-5-17(16)26-15;/h2-7,15,21H,8-13H2,1H3;1H/t15-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha-1B adrenoreceptor expressed in CHO cells after 30 mins				J Med Chem 56: 6402-12 (2013) Article DOI: 10.1021/jm400867d BindingDB Entry DOI: 10.7270/Q2NV9N63
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50493056 (CHEMBL2419771) Show SMILES Cl.COc1ccc2CCOc2c1OCCNC[C@H]1COc2ccccc2O1 |r| Show InChI InChI=1S/C20H23NO5.ClH/c1-22-18-7-6-14-8-10-23-19(14)20(18)24-11-9-21-12-15-13-25-16-4-2-3-5-17(16)26-15;/h2-7,15,21H,8-13H2,1H3;1H/t15-;/m0./s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]-8-OHDPAT from 5-HT1A receptor in rat hippocampal membranes after 30 mins				J Med Chem 56: 6402-12 (2013) Article DOI: 10.1021/jm400867d BindingDB Entry DOI: 10.7270/Q2NV9N63
					More data for this Ligand-Target Pair