BDBM50034792 CHEMBL3360995

SMILES: Cl.COc1ccccc1N1CCN(CCCCn2cnc3n(C)c(=O)n(C)c(=O)c23)CC1

InChI Key: InChIKey=ATMOXDFJUIWWDB-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 = 50034792   

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))	BDBM50034792 (CHEMBL3360995) Show SMILES Cl.COc1ccccc1N1CCN(CCCCn2cnc3n(C)c(=O)n(C)c(=O)c23)CC1 Show InChI InChI=1S/C22H30N6O3.ClH/c1-24-20-19(21(29)25(2)22(24)30)28(16-23-20)11-7-6-10-26-12-14-27(15-13-26)17-8-4-5-9-18(17)31-3;/h4-5,8-9,16H,6-7,10-15H2,1-3H3;1H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5-HT1AR in rat hippocampus				Bioorg Med Chem 23: 212-21 (2014) Article DOI: 10.1016/j.bmc.2014.11.008 BindingDB Entry DOI: 10.7270/Q2WD425D
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50034792 (CHEMBL3360995) Show SMILES Cl.COc1ccccc1N1CCN(CCCCn2cnc3n(C)c(=O)n(C)c(=O)c23)CC1 Show InChI InChI=1S/C22H30N6O3.ClH/c1-24-20-19(21(29)25(2)22(24)30)28(16-23-20)11-7-6-10-26-12-14-27(15-13-26)17-8-4-5-9-18(17)31-3;/h4-5,8-9,16H,6-7,10-15H2,1-3H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum				Bioorg Med Chem 23: 212-21 (2014) Article DOI: 10.1016/j.bmc.2014.11.008 BindingDB Entry DOI: 10.7270/Q2WD425D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50034792 (CHEMBL3360995) Show SMILES Cl.COc1ccccc1N1CCN(CCCCn2cnc3n(C)c(=O)n(C)c(=O)c23)CC1 Show InChI InChI=1S/C22H30N6O3.ClH/c1-24-20-19(21(29)25(2)22(24)30)28(16-23-20)11-7-6-10-26-12-14-27(15-13-26)17-8-4-5-9-18(17)31-3;/h4-5,8-9,16H,6-7,10-15H2,1-3H3;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	434	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]]-5-CT from human cloned 5-HT7R expressed in HEK293 cells				Bioorg Med Chem 23: 212-21 (2014) Article DOI: 10.1016/j.bmc.2014.11.008 BindingDB Entry DOI: 10.7270/Q2WD425D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50034792 (CHEMBL3360995) Show SMILES Cl.COc1ccccc1N1CCN(CCCCn2cnc3n(C)c(=O)n(C)c(=O)c23)CC1 Show InChI InChI=1S/C22H30N6O3.ClH/c1-24-20-19(21(29)25(2)22(24)30)28(16-23-20)11-7-6-10-26-12-14-27(15-13-26)17-8-4-5-9-18(17)31-3;/h4-5,8-9,16H,6-7,10-15H2,1-3H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from 5-HT2AR in rat cortex				Bioorg Med Chem 23: 212-21 (2014) Article DOI: 10.1016/j.bmc.2014.11.008 BindingDB Entry DOI: 10.7270/Q2WD425D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50034792 (CHEMBL3360995) Show SMILES Cl.COc1ccccc1N1CCN(CCCCn2cnc3n(C)c(=O)n(C)c(=O)c23)CC1 Show InChI InChI=1S/C22H30N6O3.ClH/c1-24-20-19(21(29)25(2)22(24)30)28(16-23-20)11-7-6-10-26-12-14-27(15-13-26)17-8-4-5-9-18(17)31-3;/h4-5,8-9,16H,6-7,10-15H2,1-3H3;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human cloned 5-HT6R expressed in HEK293 cells				Bioorg Med Chem 23: 212-21 (2014) Article DOI: 10.1016/j.bmc.2014.11.008 BindingDB Entry DOI: 10.7270/Q2WD425D
					More data for this Ligand-Target Pair