Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 424.5 BDBM50407780

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

Found 6 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 2C (Homo sapiens (Human))	BDBM50407780 (CHEMBL302447) Show SMILES C(N1CCN(CC1)c1nc2scc(-c3ccccc3)c2n2cccc12)c1ccccc1 Show InChI InChI=1S/C26H24N4S/c1-3-8-20(9-4-1)18-28-14-16-29(17-15-28)25-23-12-7-13-30(23)24-22(19-31-26(24)27-25)21-10-5-2-6-11-21/h1-13,19H,14-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2C receptor				J Med Chem 39: 2068-80 (1996) Article DOI: 10.1021/jm950543x BindingDB Entry DOI: 10.7270/Q2T72JNC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50407780 (CHEMBL302447) Show SMILES C(N1CCN(CC1)c1nc2scc(-c3ccccc3)c2n2cccc12)c1ccccc1 Show InChI InChI=1S/C26H24N4S/c1-3-8-20(9-4-1)18-28-14-16-29(17-15-28)25-23-12-7-13-30(23)24-22(19-31-26(24)27-25)21-10-5-2-6-11-21/h1-13,19H,14-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor				J Med Chem 39: 2068-80 (1996) Article DOI: 10.1021/jm950543x BindingDB Entry DOI: 10.7270/Q2T72JNC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Rattus norvegicus (Rat))	BDBM50407780 (CHEMBL302447) Show SMILES C(N1CCN(CC1)c1nc2scc(-c3ccccc3)c2n2cccc12)c1ccccc1 Show InChI InChI=1S/C26H24N4S/c1-3-8-20(9-4-1)18-28-14-16-29(17-15-28)25-23-12-7-13-30(23)24-22(19-31-26(24)27-25)21-10-5-2-6-11-21/h1-13,19H,14-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1B receptor				J Med Chem 39: 2068-80 (1996) Article DOI: 10.1021/jm950543x BindingDB Entry DOI: 10.7270/Q2T72JNC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50407780 (CHEMBL302447) Show SMILES C(N1CCN(CC1)c1nc2scc(-c3ccccc3)c2n2cccc12)c1ccccc1 Show InChI InChI=1S/C26H24N4S/c1-3-8-20(9-4-1)18-28-14-16-29(17-15-28)25-23-12-7-13-30(23)24-22(19-31-26(24)27-25)21-10-5-2-6-11-21/h1-13,19H,14-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor				J Med Chem 39: 2068-80 (1996) Article DOI: 10.1021/jm950543x BindingDB Entry DOI: 10.7270/Q2T72JNC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Sus scrofa)	BDBM50407780 (CHEMBL302447) Show SMILES C(N1CCN(CC1)c1nc2scc(-c3ccccc3)c2n2cccc12)c1ccccc1 Show InChI InChI=1S/C26H24N4S/c1-3-8-20(9-4-1)18-28-14-16-29(17-15-28)25-23-12-7-13-30(23)24-22(19-31-26(24)27-25)21-10-5-2-6-11-21/h1-13,19H,14-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1D receptor				J Med Chem 39: 2068-80 (1996) Article DOI: 10.1021/jm950543x BindingDB Entry DOI: 10.7270/Q2T72JNC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (BOVINE)	BDBM50407780 (CHEMBL302447) Show SMILES C(N1CCN(CC1)c1nc2scc(-c3ccccc3)c2n2cccc12)c1ccccc1 Show InChI InChI=1S/C26H24N4S/c1-3-8-20(9-4-1)18-28-14-16-29(17-15-28)25-23-12-7-13-30(23)24-22(19-31-26(24)27-25)21-10-5-2-6-11-21/h1-13,19H,14-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor				J Med Chem 39: 2068-80 (1996) Article DOI: 10.1021/jm950543x BindingDB Entry DOI: 10.7270/Q2T72JNC
					More data for this Ligand-Target Pair