BDBM50353617 CHEMBL1829659

SMILES: CCCCCCCCN1CCC2(CC1)OC(Cc1c2cnn1-c1ccccc1)OC

InChI Key: InChIKey=KAOJXFGRVRYMTH-UHFFFAOYSA-N

Data: 1 KI  4 IC50

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 5 hits for monomerid = 50353617   

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 (Cavia porcellus (Guinea pig))	BDBM50353617 (CHEMBL1829659) Show SMILES CCCCCCCCN1CCC2(CC1)OC(Cc1c2cnn1-c1ccccc1)OC Show InChI InChI=1S/C25H37N3O2/c1-3-4-5-6-7-11-16-27-17-14-25(15-18-27)22-20-26-28(21-12-9-8-10-13-21)23(22)19-24(29-2)30-25/h8-10,12-13,20,24H,3-7,11,14-19H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50353617 (CHEMBL1829659) Show SMILES CCCCCCCCN1CCC2(CC1)OC(Cc1c2cnn1-c1ccccc1)OC Show InChI InChI=1S/C25H37N3O2/c1-3-4-5-6-7-11-16-27-17-14-25(15-18-27)22-20-26-28(21-12-9-8-10-13-21)23(22)19-24(29-2)30-25/h8-10,12-13,20,24H,3-7,11,14-19H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Binding affinity to 5-HT1A receptor				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50353617 (CHEMBL1829659) Show SMILES CCCCCCCCN1CCC2(CC1)OC(Cc1c2cnn1-c1ccccc1)OC Show InChI InChI=1S/C25H37N3O2/c1-3-4-5-6-7-11-16-27-17-14-25(15-18-27)22-20-26-28(21-12-9-8-10-13-21)23(22)19-24(29-2)30-25/h8-10,12-13,20,24H,3-7,11,14-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Binding affinity to 5-HT transporter				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50353617 (CHEMBL1829659) Show SMILES CCCCCCCCN1CCC2(CC1)OC(Cc1c2cnn1-c1ccccc1)OC Show InChI InChI=1S/C25H37N3O2/c1-3-4-5-6-7-11-16-27-17-14-25(15-18-27)22-20-26-28(21-12-9-8-10-13-21)23(22)19-24(29-2)30-25/h8-10,12-13,20,24H,3-7,11,14-19H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Binding affinity to alpha-1A adrenergic receptor				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50353617 (CHEMBL1829659) Show SMILES CCCCCCCCN1CCC2(CC1)OC(Cc1c2cnn1-c1ccccc1)OC Show InChI InChI=1S/C25H37N3O2/c1-3-4-5-6-7-11-16-27-17-14-25(15-18-27)22-20-26-28(21-12-9-8-10-13-21)23(22)19-24(29-2)30-25/h8-10,12-13,20,24H,3-7,11,14-19H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Binding affinity to alpha-2A adrenergic receptor				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair