BDBM50401375 CHEMBL2205814

SMILES: COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC

InChI Key: InChIKey=KULMFBVVFDTVNX-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50401375   

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
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50401375 (CHEMBL2205814) Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16| Show InChI InChI=1S/C21H25NO3/c1-24-12-4-3-9(7-13(12)25-2)5-6-22-20-16-10-8-11-15-14(10)17(20)19(15)21(22,23)18(11)16/h3-4,7,10-11,14-20,23H,5-6,8H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor				Bioorg Med Chem Lett 22: 6053-8 (2012) Article DOI: 10.1016/j.bmcl.2012.08.046 BindingDB Entry DOI: 10.7270/Q2KH0PGM
					More data for this Ligand-Target Pair
Histamine H2 Receptor (Homo sapiens (Human))	BDBM50401375 (CHEMBL2205814) Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16| Show InChI InChI=1S/C21H25NO3/c1-24-12-4-3-9(7-13(12)25-2)5-6-22-20-16-10-8-11-15-14(10)17(20)19(15)21(22,23)18(11)16/h3-4,7,10-11,14-20,23H,5-6,8H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to Histamine H2 receptor				Bioorg Med Chem Lett 22: 6053-8 (2012) Article DOI: 10.1016/j.bmcl.2012.08.046 BindingDB Entry DOI: 10.7270/Q2KH0PGM
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50401375 (CHEMBL2205814) Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16| Show InChI InChI=1S/C21H25NO3/c1-24-12-4-3-9(7-13(12)25-2)5-6-22-20-16-10-8-11-15-14(10)17(20)19(15)21(22,23)18(11)16/h3-4,7,10-11,14-20,23H,5-6,8H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to alpha2C adrenergic receptor				Bioorg Med Chem Lett 22: 6053-8 (2012) Article DOI: 10.1016/j.bmcl.2012.08.046 BindingDB Entry DOI: 10.7270/Q2KH0PGM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50401375 (CHEMBL2205814) Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16| Show InChI InChI=1S/C21H25NO3/c1-24-12-4-3-9(7-13(12)25-2)5-6-22-20-16-10-8-11-15-14(10)17(20)19(15)21(22,23)18(11)16/h3-4,7,10-11,14-20,23H,5-6,8H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to SERT				Bioorg Med Chem Lett 22: 6053-8 (2012) Article DOI: 10.1016/j.bmcl.2012.08.046 BindingDB Entry DOI: 10.7270/Q2KH0PGM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50401375 (CHEMBL2205814) Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16| Show InChI InChI=1S/C21H25NO3/c1-24-12-4-3-9(7-13(12)25-2)5-6-22-20-16-10-8-11-15-14(10)17(20)19(15)21(22,23)18(11)16/h3-4,7,10-11,14-20,23H,5-6,8H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5-HT7 receptor				Bioorg Med Chem Lett 22: 6053-8 (2012) Article DOI: 10.1016/j.bmcl.2012.08.046 BindingDB Entry DOI: 10.7270/Q2KH0PGM
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50401375 (CHEMBL2205814) Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16| Show InChI InChI=1S/C21H25NO3/c1-24-12-4-3-9(7-13(12)25-2)5-6-22-20-16-10-8-11-15-14(10)17(20)19(15)21(22,23)18(11)16/h3-4,7,10-11,14-20,23H,5-6,8H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt 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
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to alpha1A adrenergic				Bioorg Med Chem Lett 22: 6053-8 (2012) Article DOI: 10.1016/j.bmcl.2012.08.046 BindingDB Entry DOI: 10.7270/Q2KH0PGM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50401375 (CHEMBL2205814) Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16| Show InChI InChI=1S/C21H25NO3/c1-24-12-4-3-9(7-13(12)25-2)5-6-22-20-16-10-8-11-15-14(10)17(20)19(15)21(22,23)18(11)16/h3-4,7,10-11,14-20,23H,5-6,8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to 5-HT1B receptor				Bioorg Med Chem Lett 22: 6053-8 (2012) Article DOI: 10.1016/j.bmcl.2012.08.046 BindingDB Entry DOI: 10.7270/Q2KH0PGM
					More data for this Ligand-Target Pair