Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 281.3 BDBM50213961

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 1D (Sus scrofa)	BDBM50213961 (CHEMBL53739) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C16H19N5/c1-20-6-4-12(5-7-20)15-9-17-16-3-2-13(8-14(15)16)21-10-18-19-11-21/h2-3,8-12,17H,4-7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for its ability to displace [3H]-5-HT binding to 5-hydroxytryptamine 1D receptor recognition sites in pig caudate membranes				Citation and Details BindingDB Entry DOI: 10.7270/Q2SX6GDH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Sus scrofa)	BDBM50213961 (CHEMBL53739) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C16H19N5/c1-20-6-4-12(5-7-20)15-9-17-16-3-2-13(8-14(15)16)21-10-18-19-11-21/h2-3,8-12,17H,4-7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for its ability to displace [3H]-5-HT binding to 5-hydroxytryptamine 1D receptor recognition sites in pig caudate membranes				Citation and Details BindingDB Entry DOI: 10.7270/Q2SX6GDH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50213961 (CHEMBL53739) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C16H19N5/c1-20-6-4-12(5-7-20)15-9-17-16-3-2-13(8-14(15)16)21-10-18-19-11-21/h2-3,8-12,17H,4-7H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for its ability to displace [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor in pig cortex				Citation and Details BindingDB Entry DOI: 10.7270/Q2SX6GDH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50213961 (CHEMBL53739) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C16H19N5/c1-20-6-4-12(5-7-20)15-9-17-16-3-2-13(8-14(15)16)21-10-18-19-11-21/h2-3,8-12,17H,4-7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for its ability to displace [3H]-Q-ICS 205-930 from 5-hydroxytryptamine 3 receptor in rat cortex homogenates				Citation and Details BindingDB Entry DOI: 10.7270/Q2SX6GDH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50213961 (CHEMBL53739) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C16H19N5/c1-20-6-4-12(5-7-20)15-9-17-16-3-2-13(8-14(15)16)21-10-18-19-11-21/h2-3,8-12,17H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for its ability to displace [3H]DOB from 5-hydroxytryptamine 2A receptor in rat cortex homogenates				Citation and Details BindingDB Entry DOI: 10.7270/Q2SX6GDH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50213961 (CHEMBL53739) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C16H19N5/c1-20-6-4-12(5-7-20)15-9-17-16-3-2-13(8-14(15)16)21-10-18-19-11-21/h2-3,8-12,17H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for its ability to displace [3H]mesulergine from 5-hydroxytryptamine 2C receptor in pig cortex				Citation and Details BindingDB Entry DOI: 10.7270/Q2SX6GDH
					More data for this Ligand-Target Pair