Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 253.3 BDBM50408171

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 3A/3B/3C/3D/3E (Homo sapiens (Human))	BDBM50408171 (CHEMBL53490) Show SMILES C1CN(CCN1)c1nc2cccnc2n2cccc12 Show InChI InChI=1S/C14H15N5/c1-3-11-13(16-5-1)19-8-2-4-12(19)14(17-11)18-9-6-15-7-10-18/h1-5,8,15H,6-7,9-10H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 3 receptor was measured using [3H]granisetron as radioligand				J Med Chem 40: 1808-19 (1997) Article DOI: 10.1021/jm960501o BindingDB Entry DOI: 10.7270/Q20R9QMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50408171 (CHEMBL53490) Show SMILES C1CN(CCN1)c1nc2cccnc2n2cccc12 Show InChI InChI=1S/C14H15N5/c1-3-11-13(16-5-1)19-8-2-4-12(19)14(17-11)18-9-6-15-7-10-18/h1-5,8,15H,6-7,9-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64.6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor was measured using [3H]8-OH-DPAT as radioligand				J Med Chem 40: 1808-19 (1997) Article DOI: 10.1021/jm960501o BindingDB Entry DOI: 10.7270/Q20R9QMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Rattus norvegicus (Rat))	BDBM50408171 (CHEMBL53490) Show SMILES C1CN(CCN1)c1nc2cccnc2n2cccc12 Show InChI InChI=1S/C14H15N5/c1-3-11-13(16-5-1)19-8-2-4-12(19)14(17-11)18-9-6-15-7-10-18/h1-5,8,15H,6-7,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	151	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 1B receptor was measured using [3H]5-HT as radioligand				J Med Chem 40: 1808-19 (1997) Article DOI: 10.1021/jm960501o BindingDB Entry DOI: 10.7270/Q20R9QMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50408171 (CHEMBL53490) Show SMILES C1CN(CCN1)c1nc2cccnc2n2cccc12 Show InChI InChI=1S/C14H15N5/c1-3-11-13(16-5-1)19-8-2-4-12(19)14(17-11)18-9-6-15-7-10-18/h1-5,8,15H,6-7,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	269	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxytryptamine 2C Receptor was measured using [3H]N-methyl-mesulergine as radioligand				J Med Chem 40: 1808-19 (1997) Article DOI: 10.1021/jm960501o BindingDB Entry DOI: 10.7270/Q20R9QMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Sus scrofa)	BDBM50408171 (CHEMBL53490) Show SMILES C1CN(CCN1)c1nc2cccnc2n2cccc12 Show InChI InChI=1S/C14H15N5/c1-3-11-13(16-5-1)19-8-2-4-12(19)14(17-11)18-9-6-15-7-10-18/h1-5,8,15H,6-7,9-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1D receptor was measured using [3H]5-HT as radioligand				J Med Chem 40: 1808-19 (1997) Article DOI: 10.1021/jm960501o BindingDB Entry DOI: 10.7270/Q20R9QMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (BOVINE)	BDBM50408171 (CHEMBL53490) Show SMILES C1CN(CCN1)c1nc2cccnc2n2cccc12 Show InChI InChI=1S/C14H15N5/c1-3-11-13(16-5-1)19-8-2-4-12(19)14(17-11)18-9-6-15-7-10-18/h1-5,8,15H,6-7,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2A receptor was measured using [3H]ketanserin as radioligand				J Med Chem 40: 1808-19 (1997) Article DOI: 10.1021/jm960501o BindingDB Entry DOI: 10.7270/Q20R9QMC
					More data for this Ligand-Target Pair