BDBM50451039 CHEMBL4209954

SMILES: O=C(NCCN1CCN(CC1)c1ncccn1)c1ccccn1

InChI Key: InChIKey=FMKSQYLYPWENRS-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50451039   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50451039 (CHEMBL4209954) Show SMILES O=C(NCCN1CCN(CC1)c1ncccn1)c1ccccn1 Show InChI InChI=1S/C16H20N6O/c23-15(14-4-1-2-5-17-14)18-8-9-21-10-12-22(13-11-21)16-19-6-3-7-20-16/h1-7H,8-13H2,(H,18,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from serotonin 5-HT1A receptor in Sprague-Dawley rat brain cortex homogenates incubated for 30 mins by liquid scintill...				Bioorg Med Chem 25: 5820-5837 (2017) Article DOI: 10.1016/j.bmc.2017.09.018 BindingDB Entry DOI: 10.7270/Q2VD721F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50451039 (CHEMBL4209954) Show SMILES O=C(NCCN1CCN(CC1)c1ncccn1)c1ccccn1 Show InChI InChI=1S/C16H20N6O/c23-15(14-4-1-2-5-17-14)18-8-9-21-10-12-22(13-11-21)16-19-6-3-7-20-16/h1-7H,8-13H2,(H,18,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from serotonin 5-HT2A receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintill...				Bioorg Med Chem 25: 5820-5837 (2017) Article DOI: 10.1016/j.bmc.2017.09.018 BindingDB Entry DOI: 10.7270/Q2VD721F
					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM50451039 (CHEMBL4209954) Show SMILES O=C(NCCN1CCN(CC1)c1ncccn1)c1ccccn1 Show InChI InChI=1S/C16H20N6O/c23-15(14-4-1-2-5-17-14)18-8-9-21-10-12-22(13-11-21)16-19-6-3-7-20-16/h1-7H,8-13H2,(H,18,23)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...				Bioorg Med Chem 25: 5820-5837 (2017) Article DOI: 10.1016/j.bmc.2017.09.018 BindingDB Entry DOI: 10.7270/Q2VD721F
					More data for this Ligand-Target Pair