BDBM36022 (+/-)-octopamine::Octopamine,(+/-)

SMILES: [NH3+]CC(O)c1ccc(O)cc1

InChI Key: InChIKey=QHGUCRYDKWKLMG-UHFFFAOYSA-O

Data: 4 KI  1 EC50  4 ITC

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 = 36022   

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
Serotonin (5-HT) receptor (Rattus norvegicus (rat))	BDBM36022 ((+/-)-octopamine | Octopamine,(+/-)) Show SMILES [NH3+]CC(O)c1ccc(O)cc1 Show InChI InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/p+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by PDSP Ki Database									J Biol Chem 268: 18200-4 (1993) BindingDB Entry DOI: 10.7270/Q2V1239R
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Rattus norvegicus (rat))	BDBM36022 ((+/-)-octopamine | Octopamine,(+/-)) Show SMILES [NH3+]CC(O)c1ccc(O)cc1 Show InChI InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/p+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Neurological Disorders and Stroke Curated by PDSP Ki Database									J Biol Chem 268: 18200-4 (1993) BindingDB Entry DOI: 10.7270/Q2V1239R
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM36022 ((+/-)-octopamine | Octopamine,(+/-)) Show SMILES [NH3+]CC(O)c1ccc(O)cc1 Show InChI InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/p+1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Mol Pharmacol 13: 454-73 (1977) BindingDB Entry DOI: 10.7270/Q2TT4PFZ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM36022 ((+/-)-octopamine | Octopamine,(+/-)) Show SMILES [NH3+]CC(O)c1ccc(O)cc1 Show InChI InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/p+1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Mol Pharmacol 13: 454-73 (1977) BindingDB Entry DOI: 10.7270/Q2TT4PFZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM36022 ((+/-)-octopamine | Octopamine,(+/-)) Show SMILES [NH3+]CC(O)c1ccc(O)cc1 Show InChI InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
Howard Hughes Medical Institute Curated by ChEMBL					Assay Description Activity at SER3 receptor expressed in HEK293 cells assessed as increase in calcium by calcium imaging assay				Nature 450: 553-556 (2007) Article DOI: 10.1038/nature05991 BindingDB Entry DOI: 10.7270/Q2833SXW
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 36022

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
BDBM4	BDBM36022	CHEBI MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-1.49	5.21	-6.71	1.08	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36022	CHEBI MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-1.30	4.21	-5.52	0.950	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36022	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-2.35	0.911	-3.27	1.72	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36022	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI PC cid PC sid		-2.25	1.55	-3.79	1.65	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)