BindingDB PrimarySearch

null

SMILES: COc1cc(CC(C)N)c(OC)cc1I

InChI Key: InChIKey=BGMZUEKZENQUJY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 72 hits for monomerid = 28582
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine \| CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	53.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Curated by PDSP K_i Database									Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004) Article DOI: 10.1007/s00210-004-0951-4 BindingDB Entry DOI: 10.7270/Q2M32TBD
Vernalis Research Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (BOVINE)	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine \| CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP K_i Database									J Neurosci 9: 3482-90 (1989) BindingDB Entry DOI: 10.7270/Q2FX77Z2
Stanford University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine \| CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	57.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by PDSP K_i Database									Neuropharmacology 33: 275-317 (1994) Article DOI: 10.1016/0028-3908(94)90059-0 BindingDB Entry DOI: 10.7270/Q2M043X2
University of Alberta Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine \| CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany Medical College Curated by PDSP K_i Database									Synapse 35: 144-50 (2000) Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K BindingDB Entry DOI: 10.7270/Q2ST7NDX
Albany Medical College Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine \| CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	87.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by PDSP K_i Database									Neuropharmacology 33: 275-317 (1994) Article DOI: 10.1016/0028-3908(94)90059-0 BindingDB Entry DOI: 10.7270/Q2M043X2
University of Alberta Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (BOVINE)	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine \| CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP K_i Database									J Neurosci 9: 3482-90 (1989) BindingDB Entry DOI: 10.7270/Q2FX77Z2
Stanford University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine \| CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1 receptor of rat prefrontal cortex				J Med Chem 29: 194-9 (1986) BindingDB Entry DOI: 10.7270/Q2KP84CD
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine \| CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity for rodent 5-hydroxytryptamine 5A receptor				J Med Chem 46: 2795-812 (2003) Article DOI: 10.1021/jm030030n BindingDB Entry DOI: 10.7270/Q2M0465F
Virginia Commonwealth University Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (RAT)	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine \| CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by PDSP K_i Database									Proc Natl Acad Sci U S A 90: 3452-6 (1993) Article DOI: 10.1073/pnas.90.8.3452 BindingDB Entry DOI: 10.7270/Q21C1VCC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5B (RAT)	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine \| CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by PDSP K_i Database									Proc Natl Acad Sci U S A 90: 3452-6 (1993) Article DOI: 10.1073/pnas.90.8.3452 BindingDB Entry DOI: 10.7270/Q21C1VCC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1F (Homo sapiens (Human))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine \| CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by PDSP K_i Database									Proc Natl Acad Sci U S A 90: 408-12 (1993) Article DOI: 10.1073/pnas.90.2.408 BindingDB Entry DOI: 10.7270/Q2862DZF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1F (Homo sapiens (Human))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine \| CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by PDSP K_i Database									Neuropharmacology 33: 275-317 (1994) Article DOI: 10.1016/0028-3908(94)90059-0 BindingDB Entry DOI: 10.7270/Q2M043X2
University of Alberta Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1E (Homo sapiens (Human))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine \| CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by PDSP K_i Database									Mol Pharmacol 42: 180-5 (1992) BindingDB Entry DOI: 10.7270/Q2416VJ0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (MOUSE)	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine \| CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL 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
CNRS Curated by PDSP K_i Database									Mol Pharmacol 44: 229-36 (1993) BindingDB Entry DOI: 10.7270/Q2KH0KTV
CNRS Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine \| CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	178	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at rat 5-HT2C receptor expressed in African clawed frog oocytes assessed as increase in current amplitude				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
University of Illinois at Chicago Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine \| CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	57	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at rat 5-HT2A receptor expressed in African clawed frog oocytes assessed as increase in current amplitude				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
University of Illinois at Chicago Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine \| CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Displacement of [125I](+/-)DOI from human recombinant 5-HT2B receptor expressed in CHO cells after 60 mins by scintillation counting				J Med Chem 60: 349-361 (2017) Article DOI: 10.1021/acs.jmedchem.6b01422 BindingDB Entry DOI: 10.7270/Q27M0B6T
The University of Newcastle Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine \| CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2B receptor expressed in CHO cells measured after 60 mins by scintillation counting method				Bioorg Med Chem 25: 471-482 (2017) Article DOI: 10.1016/j.bmc.2016.11.014 BindingDB Entry DOI: 10.7270/Q2CF9S3S
Jagiellonian University Medical College Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine \| CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I](+/-)DOI from human recombinant 5-HT2B receptor expressed in CHO cells				Bioorg Med Chem 24: 1793-810 (2016) Article DOI: 10.1016/j.bmc.2016.03.006 BindingDB Entry DOI: 10.7270/Q2J67JS7
Jagiellonian University Medical College Curated by ChEMBL					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine \| CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Chile Curated by ChEMBL					Assay Description Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension				J Med Chem 48: 2407-19 (2005) Article DOI: 10.1021/jm0493109 BindingDB Entry DOI: 10.7270/Q27080XX
Universidad de Chile Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine \| CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.30	n/a	n/a	n/a	25
University of Copenhagen Curated by ChEMBL					Assay Description Partial agonist activity at human 5-HT2A receptor expressed in HEK293 cells preincubated for 1 hr at 37 degC followed by incubated for 15 mins at roo...				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine \| CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	46	n/a	n/a	n/a	25
University of Copenhagen Curated by ChEMBL					Assay Description Partial agonist activity at human 5-HT2C receptor expressed in HEK293 cells preincubated for 1 hr at 37 degC followed by incubated for 15 mins at roo...				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair

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