BDBM50458553 CHEMBL4218672

SMILES: Fc1ccc(cc1)-c1noc2CCNCCc12

InChI Key: InChIKey=ZUCQKAOSMQWPJG-UHFFFAOYSA-N

Data: 14 KI  2 IC50  2 EC50

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 18 hits for monomerid = 50458553   

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 7 (Homo sapiens (Human))	BDBM50458553 (CHEMBL4218672) Show SMILES Fc1ccc(cc1)-c1noc2CCNCCc12 Show InChI InChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT7 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method				J Med Chem 61: 7218-7233 (2018) Article DOI: 10.1021/acs.jmedchem.8b00642 BindingDB Entry DOI: 10.7270/Q2BC424N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50458553 (CHEMBL4218672) Show SMILES Fc1ccc(cc1)-c1noc2CCNCCc12 Show InChI InChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology US Patent					Assay Description Human gene recombinant 5-HT7 receptor expressed in Chinese hamster ovary (CHO) cells was used. [3H]LSD 1 nM, the 5-HT7 receptor membrane (15 μg/...				US Patent US10435408 (2019) BindingDB Entry DOI: 10.7270/Q2ZS2ZXP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50458553 (CHEMBL4218672) Show SMILES Fc1ccc(cc1)-c1noc2CCNCCc12 Show InChI InChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT7 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method				J Med Chem 61: 7218-7233 (2018) Article DOI: 10.1021/acs.jmedchem.8b00642 BindingDB Entry DOI: 10.7270/Q2BC424N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50458553 (CHEMBL4218672) Show SMILES Fc1ccc(cc1)-c1noc2CCNCCc12 Show InChI InChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	471	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT2A receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method				J Med Chem 61: 7218-7233 (2018) Article DOI: 10.1021/acs.jmedchem.8b00642 BindingDB Entry DOI: 10.7270/Q2BC424N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50458553 (CHEMBL4218672) Show SMILES Fc1ccc(cc1)-c1noc2CCNCCc12 Show InChI InChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	505	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method				J Med Chem 61: 7218-7233 (2018) Article DOI: 10.1021/acs.jmedchem.8b00642 BindingDB Entry DOI: 10.7270/Q2BC424N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50458553 (CHEMBL4218672) Show SMILES Fc1ccc(cc1)-c1noc2CCNCCc12 Show InChI InChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	703	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT3 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method				J Med Chem 61: 7218-7233 (2018) Article DOI: 10.1021/acs.jmedchem.8b00642 BindingDB Entry DOI: 10.7270/Q2BC424N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50458553 (CHEMBL4218672) Show SMILES Fc1ccc(cc1)-c1noc2CCNCCc12 Show InChI InChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	785	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT2C receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method				J Med Chem 61: 7218-7233 (2018) Article DOI: 10.1021/acs.jmedchem.8b00642 BindingDB Entry DOI: 10.7270/Q2BC424N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50458553 (CHEMBL4218672) Show SMILES Fc1ccc(cc1)-c1noc2CCNCCc12 Show InChI InChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT5A receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method				J Med Chem 61: 7218-7233 (2018) Article DOI: 10.1021/acs.jmedchem.8b00642 BindingDB Entry DOI: 10.7270/Q2BC424N
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50458553 (CHEMBL4218672) Show SMILES Fc1ccc(cc1)-c1noc2CCNCCc12 Show InChI InChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia 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
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT1B receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method				J Med Chem 61: 7218-7233 (2018) Article DOI: 10.1021/acs.jmedchem.8b00642 BindingDB Entry DOI: 10.7270/Q2BC424N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50458553 (CHEMBL4218672) Show SMILES Fc1ccc(cc1)-c1noc2CCNCCc12 Show InChI InChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia 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
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT1A receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method				J Med Chem 61: 7218-7233 (2018) Article DOI: 10.1021/acs.jmedchem.8b00642 BindingDB Entry DOI: 10.7270/Q2BC424N
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50458553 (CHEMBL4218672) Show SMILES Fc1ccc(cc1)-c1noc2CCNCCc12 Show InChI InChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT1D receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method				J Med Chem 61: 7218-7233 (2018) Article DOI: 10.1021/acs.jmedchem.8b00642 BindingDB Entry DOI: 10.7270/Q2BC424N
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50458553 (CHEMBL4218672) Show SMILES Fc1ccc(cc1)-c1noc2CCNCCc12 Show InChI InChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia 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
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT4 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method				J Med Chem 61: 7218-7233 (2018) Article DOI: 10.1021/acs.jmedchem.8b00642 BindingDB Entry DOI: 10.7270/Q2BC424N
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50458553 (CHEMBL4218672) Show SMILES Fc1ccc(cc1)-c1noc2CCNCCc12 Show InChI InChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT1E receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method				J Med Chem 61: 7218-7233 (2018) Article DOI: 10.1021/acs.jmedchem.8b00642 BindingDB Entry DOI: 10.7270/Q2BC424N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50458553 (CHEMBL4218672) Show SMILES Fc1ccc(cc1)-c1noc2CCNCCc12 Show InChI InChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method				J Med Chem 61: 7218-7233 (2018) Article DOI: 10.1021/acs.jmedchem.8b00642 BindingDB Entry DOI: 10.7270/Q2BC424N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50458553 (CHEMBL4218672) Show SMILES Fc1ccc(cc1)-c1noc2CCNCCc12 Show InChI InChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	135	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Agonist activity at tTA containing TCS cleavage site-fused 5-HT7 receptor (unknown origin) expressed in tTA-dependent luciferase reporter/TEV-fused b...				J Med Chem 61: 7218-7233 (2018) Article DOI: 10.1021/acs.jmedchem.8b00642 BindingDB Entry DOI: 10.7270/Q2BC424N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50458553 (CHEMBL4218672) Show SMILES Fc1ccc(cc1)-c1noc2CCNCCc12 Show InChI InChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed as inhibition of Gs protein-mediated cAMP accumulation by luminescence...				J Med Chem 61: 7218-7233 (2018) Article DOI: 10.1021/acs.jmedchem.8b00642 BindingDB Entry DOI: 10.7270/Q2BC424N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50458553 (CHEMBL4218672) Show SMILES Fc1ccc(cc1)-c1noc2CCNCCc12 Show InChI InChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed as inhibition of Gs protein-mediated cAMP accumulation by luminescence...				J Med Chem 61: 7218-7233 (2018) Article DOI: 10.1021/acs.jmedchem.8b00642 BindingDB Entry DOI: 10.7270/Q2BC424N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50458553 (CHEMBL4218672) Show SMILES Fc1ccc(cc1)-c1noc2CCNCCc12 Show InChI InChI=1S/C13H13FN2O/c14-10-3-1-9(2-4-10)13-11-5-7-15-8-6-12(11)17-16-13/h1-4,15H,5-8H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	135	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Agonist activity at tTA containing TCS cleavage site-fused 5-HT7 receptor (unknown origin) expressed in tTA-dependent luciferase reporter/TEV-fused b...				J Med Chem 61: 7218-7233 (2018) Article DOI: 10.1021/acs.jmedchem.8b00642 BindingDB Entry DOI: 10.7270/Q2BC424N
					More data for this Ligand-Target Pair