BDBM50002729 CHEMBL215857

SMILES: Cl.COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3CCCCc3cc2O1

InChI Key: InChIKey=KHWJVDNWRQSROE-GMUIIQOCSA-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 = 50002729   

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))	BDBM50002729 (CHEMBL215857) Show SMILES Cl.COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3CCCCc3cc2O1 |r| Show InChI InChI=1S/C23H29NO5.ClH/c1-25-19-8-5-9-20(26-2)23(19)27-11-10-24-14-18-15-28-21-12-16-6-3-4-7-17(16)13-22(21)29-18;/h5,8-9,12-13,18,24H,3-4,6-7,10-11,14-15H2,1-2H3;1H/t18-;/m1./s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	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 cloned human adrenergic alpha 1A receptor expressed in CHO cells				J Med Chem 49: 7140-9 (2006) Checked by Author Article DOI: 10.1021/jm060358r BindingDB Entry DOI: 10.7270/Q25Q4XBK
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50002729 (CHEMBL215857) Show SMILES Cl.COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3CCCCc3cc2O1 |r| Show InChI InChI=1S/C23H29NO5.ClH/c1-25-19-8-5-9-20(26-2)23(19)27-11-10-24-14-18-15-28-21-12-16-6-3-4-7-17(16)13-22(21)29-18;/h5,8-9,12-13,18,24H,3-4,6-7,10-11,14-15H2,1-2H3;1H/t18-;/m1./s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	204	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 cloned human adrenergic alpha 1D receptor expressed in CHO cells				J Med Chem 49: 7140-9 (2006) Checked by Author Article DOI: 10.1021/jm060358r BindingDB Entry DOI: 10.7270/Q25Q4XBK
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50002729 (CHEMBL215857) Show SMILES Cl.COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3CCCCc3cc2O1 |r| Show InChI InChI=1S/C23H29NO5.ClH/c1-25-19-8-5-9-20(26-2)23(19)27-11-10-24-14-18-15-28-21-12-16-6-3-4-7-17(16)13-22(21)29-18;/h5,8-9,12-13,18,24H,3-4,6-7,10-11,14-15H2,1-2H3;1H/t18-;/m1./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	398	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 cloned human adrenergic alpha 1B receptor expressed in CHO cells				J Med Chem 49: 7140-9 (2006) Checked by Author Article DOI: 10.1021/jm060358r BindingDB Entry DOI: 10.7270/Q25Q4XBK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50002729 (CHEMBL215857) Show SMILES Cl.COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3CCCCc3cc2O1 |r| Show InChI InChI=1S/C23H29NO5.ClH/c1-25-19-8-5-9-20(26-2)23(19)27-11-10-24-14-18-15-28-21-12-16-6-3-4-7-17(16)13-22(21)29-18;/h5,8-9,12-13,18,24H,3-4,6-7,10-11,14-15H2,1-2H3;1H/t18-;/m1./s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	501	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-OH-DPAT from 5-HT1A receptor in rat hippocampus				J Med Chem 49: 7140-9 (2006) Checked by Author Article DOI: 10.1021/jm060358r BindingDB Entry DOI: 10.7270/Q25Q4XBK
					More data for this Ligand-Target Pair