Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 555.4 BDBM50399621

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 12 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50399621 (CHEMBL2181166) Show SMILES Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21 Show InChI InChI=1S/C27H27FIN3O/c28-24-7-1-5-22-25-23(6-2-14-30-25)27(31-26(22)24)33-18-20-12-16-32(17-13-20)15-3-4-19-8-10-21(29)11-9-19/h1-2,5-11,14,20H,3-4,12-13,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Displacement of radioligand from human 5HT4R by Cerep protocol based assay				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50399621 (CHEMBL2181166) Show SMILES Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21 Show InChI InChI=1S/C27H27FIN3O/c28-24-7-1-5-22-25-23(6-2-14-30-25)27(31-26(22)24)33-18-20-12-16-32(17-13-20)15-3-4-19-8-10-21(29)11-9-19/h1-2,5-11,14,20H,3-4,12-13,15-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from 5HT4R in guinea pig striatal membranes				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50399621 (CHEMBL2181166) Show SMILES Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21 Show InChI InChI=1S/C27H27FIN3O/c28-24-7-1-5-22-25-23(6-2-14-30-25)27(31-26(22)24)33-18-20-12-16-32(17-13-20)15-3-4-19-8-10-21(29)11-9-19/h1-2,5-11,14,20H,3-4,12-13,15-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to human 5HT7 by Cerep protocol based assay				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50399621 (CHEMBL2181166) Show SMILES Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21 Show InChI InChI=1S/C27H27FIN3O/c28-24-7-1-5-22-25-23(6-2-14-30-25)27(31-26(22)24)33-18-20-12-16-32(17-13-20)15-3-4-19-8-10-21(29)11-9-19/h1-2,5-11,14,20H,3-4,12-13,15-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to human 5HT2B by Cerep protocol based assay				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50399621 (CHEMBL2181166) Show SMILES Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21 Show InChI InChI=1S/C27H27FIN3O/c28-24-7-1-5-22-25-23(6-2-14-30-25)27(31-26(22)24)33-18-20-12-16-32(17-13-20)15-3-4-19-8-10-21(29)11-9-19/h1-2,5-11,14,20H,3-4,12-13,15-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C by Cerep protocol based assay				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50399621 (CHEMBL2181166) Show SMILES Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21 Show InChI InChI=1S/C27H27FIN3O/c28-24-7-1-5-22-25-23(6-2-14-30-25)27(31-26(22)24)33-18-20-12-16-32(17-13-20)15-3-4-19-8-10-21(29)11-9-19/h1-2,5-11,14,20H,3-4,12-13,15-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to human 5HT3 by Cerep protocol based assay				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50399621 (CHEMBL2181166) Show SMILES Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21 Show InChI InChI=1S/C27H27FIN3O/c28-24-7-1-5-22-25-23(6-2-14-30-25)27(31-26(22)24)33-18-20-12-16-32(17-13-20)15-3-4-19-8-10-21(29)11-9-19/h1-2,5-11,14,20H,3-4,12-13,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to human 5HT1A by Cerep protocol based assay				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50399621 (CHEMBL2181166) Show SMILES Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21 Show InChI InChI=1S/C27H27FIN3O/c28-24-7-1-5-22-25-23(6-2-14-30-25)27(31-26(22)24)33-18-20-12-16-32(17-13-20)15-3-4-19-8-10-21(29)11-9-19/h1-2,5-11,14,20H,3-4,12-13,15-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A by Cerep protocol based assay				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50399621 (CHEMBL2181166) Show SMILES Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21 Show InChI InChI=1S/C27H27FIN3O/c28-24-7-1-5-22-25-23(6-2-14-30-25)27(31-26(22)24)33-18-20-12-16-32(17-13-20)15-3-4-19-8-10-21(29)11-9-19/h1-2,5-11,14,20H,3-4,12-13,15-18H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to human 5HT5A by Cerep protocol based assay				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50399621 (CHEMBL2181166) Show SMILES Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21 Show InChI InChI=1S/C27H27FIN3O/c28-24-7-1-5-22-25-23(6-2-14-30-25)27(31-26(22)24)33-18-20-12-16-32(17-13-20)15-3-4-19-8-10-21(29)11-9-19/h1-2,5-11,14,20H,3-4,12-13,15-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to human 5HT1B by Cerep protocol based assay				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50399621 (CHEMBL2181166) Show SMILES Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21 Show InChI InChI=1S/C27H27FIN3O/c28-24-7-1-5-22-25-23(6-2-14-30-25)27(31-26(22)24)33-18-20-12-16-32(17-13-20)15-3-4-19-8-10-21(29)11-9-19/h1-2,5-11,14,20H,3-4,12-13,15-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to human 5HT1D by Cerep protocol based assay				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50399621 (CHEMBL2181166) Show SMILES Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21 Show InChI InChI=1S/C27H27FIN3O/c28-24-7-1-5-22-25-23(6-2-14-30-25)27(31-26(22)24)33-18-20-12-16-32(17-13-20)15-3-4-19-8-10-21(29)11-9-19/h1-2,5-11,14,20H,3-4,12-13,15-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 by Cerep protocol based assay				J Med Chem 55: 9693-707 (2012) Article DOI: 10.1021/jm300943r BindingDB Entry DOI: 10.7270/Q2ZC8417
					More data for this Ligand-Target Pair