BDBM97162 MLS002153782::RITODRINE::RITODRINE HYDROCHLORIDE::SMR001233166::cid_31728

SMILES: C[C@H](NCCc1ccc(O)cc1)[C@H](O)c1ccc(O)cc1

InChI Key: InChIKey=IOVGROKTTNBUGK-SJCJKPOMSA-N

Data: 2 KI  4 IC50  1 EC50

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 = 97162   

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
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM97162 (MLS002153782 | RITODRINE | RITODRINE HYDROCHLORIDE...) Show SMILES C[C@H](NCCc1ccc(O)cc1)[C@H](O)c1ccc(O)cc1 Show InChI InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	6.04E+6	n/a	3.66E+6	n/a	n/a	n/a	n/a	n/a	n/a
Ataturk University					Assay Description In order to determine the effects of some drugs on human 6PGD, concentrations of ketotifen (0.0018-0.0282 mM), dacarbazine (0.0049-0.054 mM), meloxic...				J Enzyme Inhib Med Chem 25: 476-9 (2010) Article DOI: 10.3109/14756360903257900 BindingDB Entry DOI: 10.7270/Q21V5CV6
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Glucose 6-phosphate dehydrogenase (G6PD) (Homo sapiens (Human))	BDBM97162 (MLS002153782 | RITODRINE | RITODRINE HYDROCHLORIDE...) Show SMILES C[C@H](NCCc1ccc(O)cc1)[C@H](O)c1ccc(O)cc1 Show InChI InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	8.21E+6	n/a	8.11E+6	n/a	n/a	n/a	n/a	n/a	n/a
Ataturk University					Assay Description Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc...				J Enzyme Inhib Med Chem 25: 871-5 (2010) Article DOI: 10.3109/14756360903489581 BindingDB Entry DOI: 10.7270/Q24M93D3
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Rattus norvegicus)	BDBM97162 (MLS002153782 | RITODRINE | RITODRINE HYDROCHLORIDE...) Show SMILES C[C@H](NCCc1ccc(O)cc1)[C@H](O)c1ccc(O)cc1 Show InChI InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24.0	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonistic activity towards beta-2 adrenoceptor. Mean concentration required to produce 50% inhibition of uterine contraction				J Med Chem 44: 1436-45 (2001) BindingDB Entry DOI: 10.7270/Q2Q52QVH
					More data for this Ligand-Target Pair
Adrenergic receptor beta (Rattus norvegicus)	BDBM97162 (MLS002153782 | RITODRINE | RITODRINE HYDROCHLORIDE...) Show SMILES C[C@H](NCCc1ccc(O)cc1)[C@H](O)c1ccc(O)cc1 Show InChI InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	191	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonistic activity towards beta-3 adrenoceptor. Mean concentration required to produce 50% relaxation of detrusor before the addition in the ferret d...				J Med Chem 44: 1436-45 (2001) BindingDB Entry DOI: 10.7270/Q2Q52QVH
					More data for this Ligand-Target Pair
Galanin receptor 3 (Homo sapiens (Human))	BDBM97162 (MLS002153782 | RITODRINE | RITODRINE HYDROCHLORIDE...) Show SMILES C[C@H](NCCc1ccc(O)cc1)[C@H](O)c1ccc(O)cc1 Show InChI InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	932	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q270802Q
					More data for this Ligand-Target Pair