BDBM50516525 CHEMBL4570584

SMILES: CN1CCN(CC1)c1nc(N)nc(COc2ccccc2C)n1

InChI Key: InChIKey=WBEGSSSQQIUZRQ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50516525   

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 6 (Homo sapiens (Human))	BDBM50516525 (CHEMBL4570584) Show SMILES CN1CCN(CC1)c1nc(N)nc(COc2ccccc2C)n1 Show InChI InChI=1S/C16H22N6O/c1-12-5-3-4-6-13(12)23-11-14-18-15(17)20-16(19-14)22-9-7-21(2)8-10-22/h3-6H,7-11H2,1-2H3,(H2,17,18,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT6R expressed in human HEK293 cells incubated for 1 hr by radioligand binding assay				Eur J Med Chem 178: 740-751 (2019) Article DOI: 10.1016/j.ejmech.2019.06.022
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50516525 (CHEMBL4570584) Show SMILES CN1CCN(CC1)c1nc(N)nc(COc2ccccc2C)n1 Show InChI InChI=1S/C16H22N6O/c1-12-5-3-4-6-13(12)23-11-14-18-15(17)20-16(19-14)22-9-7-21(2)8-10-22/h3-6H,7-11H2,1-2H3,(H2,17,18,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	514	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 1 hr by radioligand binding...				Eur J Med Chem 178: 740-751 (2019) Article DOI: 10.1016/j.ejmech.2019.06.022
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50516525 (CHEMBL4570584) Show SMILES CN1CCN(CC1)c1nc(N)nc(COc2ccccc2C)n1 Show InChI InChI=1S/C16H22N6O/c1-12-5-3-4-6-13(12)23-11-14-18-15(17)20-16(19-14)22-9-7-21(2)8-10-22/h3-6H,7-11H2,1-2H3,(H2,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Displacement of [3H]-raclopride from human D2L receptor expressed in human HEK293 cells incubated for 1 hr by radioligand binding assay				Eur J Med Chem 178: 740-751 (2019) Article DOI: 10.1016/j.ejmech.2019.06.022
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516525 (CHEMBL4570584) Show SMILES CN1CCN(CC1)c1nc(N)nc(COc2ccccc2C)n1 Show InChI InChI=1S/C16H22N6O/c1-12-5-3-4-6-13(12)23-11-14-18-15(17)20-16(19-14)22-9-7-21(2)8-10-22/h3-6H,7-11H2,1-2H3,(H2,17,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 1 hr by radioligand bi...				Eur J Med Chem 178: 740-751 (2019) Article DOI: 10.1016/j.ejmech.2019.06.022
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50516525 (CHEMBL4570584) Show SMILES CN1CCN(CC1)c1nc(N)nc(COc2ccccc2C)n1 Show InChI InChI=1S/C16H22N6O/c1-12-5-3-4-6-13(12)23-11-14-18-15(17)20-16(19-14)22-9-7-21(2)8-10-22/h3-6H,7-11H2,1-2H3,(H2,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Displacement of [3H]-Ketanserin from human 5-HT2A expressed in CHO-K1 cells incubated for 1.5 hrs by radioligand binding assay				Eur J Med Chem 178: 740-751 (2019) Article DOI: 10.1016/j.ejmech.2019.06.022
					More data for this Ligand-Target Pair