BDBM36014 (1R,2S)-(-)-ephedrine::Ephedrine,(+)::Ephedrine,(+/-)::Ephedrine,(-)::Pseudoephedrine,(+/-)

SMILES: C[NH2+][C@@H](C)[C@H](O)c1ccccc1

InChI Key: InChIKey=KWGRBVOPPLSCSI-WPRPVWTQSA-O

Data: 6 KI  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 6 hits for monomerid = 36014   

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
Norepinephrine transporter (RAT)	BDBM36014 ((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...) Show SMILES C[NH2+][C@@H](C)[C@H](O)c1ccccc1 Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1	GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	225	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIH Curated by PDSP Ki Database									Synapse 39: 32-41 (2001) Article DOI: 10.1002/1098-2396(20010101)39:1 BindingDB Entry DOI: 10.7270/Q2NV9GT3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM36014 ((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...) Show SMILES C[NH2+][C@@H](C)[C@H](O)c1ccccc1 Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIH Curated by PDSP Ki Database									Synapse 39: 32-41 (2001) Article DOI: 10.1002/1098-2396(20010101)39:1 BindingDB Entry DOI: 10.7270/Q2NV9GT3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM36014 ((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...) Show SMILES C[NH2+][C@@H](C)[C@H](O)c1ccccc1 Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIH Curated by PDSP Ki Database									Synapse 39: 32-41 (2001) Article DOI: 10.1002/1098-2396(20010101)39:1 BindingDB Entry DOI: 10.7270/Q2NV9GT3
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM36014 ((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...) Show SMILES C[NH2+][C@@H](C)[C@H](O)c1ccccc1 Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+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 12: 568-80 (1976) BindingDB Entry DOI: 10.7270/Q2ZK5F5P
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM36014 ((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...) Show SMILES C[NH2+][C@@H](C)[C@H](O)c1ccccc1 Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+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 12: 568-80 (1976) BindingDB Entry DOI: 10.7270/Q2ZK5F5P
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM36014 ((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...) Show SMILES C[NH2+][C@@H](C)[C@H](O)c1ccccc1 Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+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 12: 568-80 (1976) BindingDB Entry DOI: 10.7270/Q2ZK5F5P
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 36014

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
BDBM11	BDBM36014	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-2.59	-0.263	-2.32	1.90	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM11	BDBM36014	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-2.42	-0.192	-2.22	1.77	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36014	CHEBI MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-1.68	2.06	-3.73	1.23	6.90	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)
BDBM4	BDBM36014	CHEBI MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid		-1.46	1.42	-2.87	1.08	5	24.9
NIST					J Am Chem Soc 117: 8830-40 (1995)